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Mira Biotechnology Co., Ltd.

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Profile: Mira Biotechnology Co., Ltd. specializes in the manufacture & sales of botanical extracts, herbal extracts, and high purity phytochemicals. In addition, we also provide contract research outsourcing (CRO) service. Our products include ginkgo leaf P.E., lingonberry P.E., grape seed P.E., cranberry P.E., black currant P.E., curcuma P.E., tomato P.E., astragalus mongholicus P.E., andrographis paniculata P.E., and sweetberry P.E.

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• α-Lipoic Acid
IUPAC Name: 5-[(3R)-dithiolan-3-yl]pentanoic acid | CAS Registry Number: 62-46-4
Synonyms: lipoic acid, thioctic acid, lipoate, Heparlipon, Biletan, alpha-Lipoic acid, Thioctacid, Thioctidase, Tioctidasi, Lipothion, Thioctsan, Tioctacid, Liposan, alpha-liponic acid, Thioctanoic acid, (R)-lipoic acid, Protogen A, Thiooctanoic acid, R-Lipoate, R-Lipoic acid

Molecular Formula: C8H14O2S2Molecular Weight: 206.325560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: AGBQKNBQESQNJD-SSDOTTSWSA-N

• β,β-Dimethylacrylshikonin
IUPAC Name: [(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-methylbut-2-enoate | CAS Registry Number: 24502-79-2
Synonyms: beta,beta-Dimethylacrylshikonin, Dimethylacrylshikonin, b,b-Dimethylacrylshikonin, AC1LA0S5, SureCN2876200, Ambap24502-79-2, CHEMBL267024, CHEBI:105248, AKOS016010086, CCG-208399, AK115142, C17415, [(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-methylbut-2-enoate

Molecular Formula: C21H22O6Molecular Weight: 370.395780 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: BATBOVZTQBLKIL-QGZVFWFLSA-N

• Icariin
IUPAC Name: 5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one | CAS Registry Number: 489-32-7
Synonyms: Spectrum2_001695, Spectrum3_001130, Spectrum4_001975, Spectrum5_000933, BSPBio_002599, KBioGR_002475, MLS000759413, MLS001424083, SPECTRUM1505257, SPBio_001650, KBio3_002099, BB_NC-0999, Anhydroicaritin-3-O-alpha-rhamnoside, ZINC03960893, CID5318997, SDCCGMLS-0066754.P001, NCGC00178583-01, CPD000466309, SAM001246560, SMR000466309

Molecular Formula: C33H40O15Molecular Weight: 676.661700 [g/mol]
H-Bond Donor: 8H-Bond Acceptor: 15

InChIKey: TZJALUIVHRYQQB-XLRXWWTNSA-N

• Icariside I
IUPAC Name: 3,5-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one | CAS Registry Number: 56725-99-6
Synonyms: Baohuoside-1, BRN 0072036, 3,5,7-Trihydroxy-4'-methoxy-8'-prenylflavone-3-O-alpha-L-rhamnopranoxide, 4H-1-Benzopyran-4-one, 3,5-dihydroxy-7-(beta-D-glucopyranosyloxy)-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-, Lcariside I, AC1NX6R5, SureCN4215872, CHEMBL558499, AKOS016013487, AK128307, LS-39594, Y0105, 4-18-00-03374 (Beilstein Handbook Reference), 3,5-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

Molecular Formula: C27H30O11Molecular Weight: 530.520500 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 11

InChIKey: IYCPMVXIUPYNHI-WPKKLUCLSA-N

• Icaritin
IUPAC Name: 3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one | CAS Registry Number: 118525-40-9
Synonyms: Anhydroicaritin, BIDD:ER0021, CHEBI:610953, CID5318980, C499403

Molecular Formula: C21H20O6Molecular Weight: 368.379900 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: TUUXBSASAQJECY-UHFFFAOYSA-N

• Imperatorin
IUPAC Name: 9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one | CAS Registry Number: 482-44-0
Synonyms: Ammidin, IMPERATORIN, Marmelosin, Pentosalen, 8-Isoamylenoxypsoralen, 8-Isopentenyloxypsoralene, Spectrum_000755, SpecPlus_000755, Spectrum2_000376, Spectrum3_000145, Spectrum4_001422, Spectrum5_000244, CCRIS 4346, Oprea1_407817, BSPBio_001850, KBioGR_001864, KBioSS_001235, SPECTRUM102076, HSDB 3497, MLS000574838

Molecular Formula: C16H14O4Molecular Weight: 270.279960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: OLOOJGVNMBJLLR-UHFFFAOYSA-N

• Indaconitine
Synonyms: CID441740, C08691

Molecular Formula: C34H47NO10Molecular Weight: 629.737680 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 11

InChIKey: PHDZNMWTZQPAEW-ZIVNFORMSA-N

• Indigo
IUPAC Name: (2Z)-2-(3-oxo-1H-indol-2-ylidene)-1H-indol-3-one | CAS Registry Number: 482-89-3
Synonyms: Indigo Blue, Cystoceva, Diindogen, Indigotin, Indigo Ciba, Indigo Synthetic, Synthetic Indigo, Indigo Powder W, Vat blue 1, Vulcafix Blue R, Vulcafor Blue A, Indigo J, Indigo N, Indigo P, Vynamon Blue A, Indigo VS, Indigo Ciba SL, Indigo NAC, Indigo PLN, INDIGO

Molecular Formula: C16H10N2O2Molecular Weight: 262.262800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: COHYTHOBJLSHDF-YPKPFQOOSA-N

• Indirubin
IUPAC Name: 2-(2-oxo-1H-indol-3-ylidene)-1H-indol-3-one | CAS Registry Number: 479-41-4
Synonyms: Indigopurpurin, Indigo Red, KBioGR_000450, KBioSS_000450, KBio2_000450, KBio2_003018, KBio2_005586, KBio3_000839, KBio3_000840, Bio2_000395, Bio2_000875, NSC105327, [.DELTA.2,3'-Biindoline]-2',3-dione, C.I. 73200, 2H-Indol-2-one, 3-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,3-dihydro-

Molecular Formula: C16H10N2O2Molecular Weight: 262.262800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: CRDNMYFJWFXOCH-UHFFFAOYSA-N

• Ingenol
Synonyms: ingenol, AIDS032969, AIDS-032969, CID463008, 4,5,6-Trihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyltetracyclo[7.5.1.0<1,5>.0<10,12>]pentadeca-2,7-dien-15-one

Molecular Formula: C20H28O5Molecular Weight: 348.433320 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: VEBVPUXQAPLADL-COBWLJPFSA-N

• Irisflorentin
IUPAC Name: 9-methoxy-7-(3,4,5-trimethoxyphenyl)-[1,3]dioxolo[4,5-g]chromen-8-one | CAS Registry Number: 41743-73-1
Synonyms: CHEBI:545851, CID170569, LMPK12050419, ZINC05999015, 8H-1,3-Dioxolo(4,5-g)(1)benzopyran-8-one, 9-methoxy-7-(3,4,5-trimethoxyphenyl)-, 9-Methoxy-7-(3,4,5-trimethoxyphenyl)-8H-1,3-dioxolo(4,5-g)(1)benzopyran-8-one

Molecular Formula: C20H18O8Molecular Weight: 386.352120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 8

InChIKey: RISXUTCDCPHJFQ-UHFFFAOYSA-N

• Isoacteoside
IUPAC Name: [(2R,3R,4S,5R,6R)-5-(3,4-dihydroxyphenyl)-6-ethoxy-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate | CAS Registry Number: 61303-13-7
Synonyms: CID6438553, beta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-, 6-(3-(3,4-dihydroxyphenyl)-2-propenoate), (E)-

Molecular Formula: C29H36O15Molecular Weight: 624.587140 [g/mol]
H-Bond Donor: 9H-Bond Acceptor: 15

InChIKey: BYCHRKNAQYPJPR-DAZOONRXSA-N

• Isoalantolactone
IUPAC Name: (3aR,4aS,8aR,9aR)-8a-methyl-3,5-dimethylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one | CAS Registry Number: 470-17-7
Synonyms: STOCK1N-17522, NSC241036, AIDS082321, NSC 241036, NSC 601353, AIDS-082321, CID73285, BRN 0013402, NSC601353, ZINC03882003, AI3-31148, LS-68581, C09484, 4-17-00-05031 (Beilstein Handbook Reference), Eudesma-4(14),11(13)-dien-12-oic acid, 8-beta-hydroxy-, gamma-lactone, Naphtho(2,3-b)furan-2(3H)-one, decahydro-8a-methyl-3,5-bis(methylene)-, (3aR-(3a alpha,4a alpha,8a beta,9a alpha))-, (3aR,4aS,8aR,9aR)-8a-Methyl-3,5-dimethylene-decahydro-naphtho[2,3-b]furan-2-one, Naphtho[2,3-b]furan-2(3H)-one, decahydro-8a-methyl-3,5-bis(methylene)-, [3aR-(3a.alpha.,4a.alpha.,8a.beta.,9a.alpha.)]-

Molecular Formula: C15H20O2Molecular Weight: 232.318100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: CVUANYCQTOGILD-QVHKTLOISA-N

• Isobavachalcone
IUPAC Name: (E)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one | CAS Registry Number: 20784-50-3
Synonyms: Corylifolinin, 4-Hydroxyisocordoim, CHEBI:521553, AIDS046583, AIDS-046583, LMPK12120039, ZINC03925823, CID5281255, LS-186058, C08648, (E)-1-(2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one, 1-[2,4-Dihydroxy-3-(3-methyl-but-2-enyl)-phenyl]-3-(4-hydroxy-phenyl)-propenone

Molecular Formula: C20H20O4Molecular Weight: 324.370400 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: DUWPGRAKHMEPCM-IZZDOVSWSA-N

• ISOBERGAPTEN
IUPAC Name: 5-methoxyfuro[2,3-h]chromen-2-one | CAS Registry Number: 482-48-4
Synonyms: Isobergapten, Spectrum_000630, SpecPlus_000152, Spectrum2_000313, Spectrum3_001226, Spectrum4_001445, Spectrum5_000029, SPBio_000306, BSPBio_002672, KBioGR_001929, KBioSS_001110, SPECTRUM300032, MLS000574855, DivK1c_006248, MEGxp0_000707, KBio1_001192, KBio2_001110, KBio2_003678, KBio2_006246, KBio3_002172

Molecular Formula: C12H8O4Molecular Weight: 216.189520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: AJSPSRWWZBBIOR-UHFFFAOYSA-N

• Isochlorogenic acid A
IUPAC Name: (3R,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acid | CAS Registry Number: 2450-53-5
Synonyms: 3,5-Dicaffeoylquinic acid, 3,5-DCQA, 3,5-Di-O-caffeoylquinic acid, CHEMBL249447, CHEBI:65751, 89919-62-0, IsochlorogenicacidA, 3,5-Dicaffeoylquinicacid, 3,5-dicaffeoyl quinic acid, AC1O6F94, Rel-3,5-Dicaffeoylquinic Acid, Quinic acid 3,5-di-O-caffeate, SCHEMBL13567304, ACon1_002290, MolPort-001-740-184, MolPort-027-834-925, AKOS015903388, AKOS016007890, NCGC00169984-01, 4CN-0985

Molecular Formula: C25H24O12Molecular Weight: 516.450860 [g/mol]
H-Bond Donor: 7H-Bond Acceptor: 12

InChIKey: KRZBCHWVBQOTNZ-RDJMKVHDSA-N

• Isochlorogenic acid C
IUPAC Name: (1S,3R,4S,5R)-4-[(E)-4-(3,4-dihydroxyphenyl)-2-oxobut-3-enyl]-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-5-hydroxy-1-methylcyclohexane-1-carboxylic acid | CAS Registry Number: 32451-88-0
Synonyms: AKOS016003465, AK-64824, KB-205438

Molecular Formula: C27H28O10Molecular Weight: 512.505220 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 10

InChIKey: VQOCGEDVOQRNED-DBTLUIDLSA-N

• Isocorynoxeine
IUPAC Name: methyl (E)-2-[(3S,6'R,7'S,8'aS)-6'-ethenyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate | CAS Registry Number: 51014-29-0
Synonyms: AC1MI2WD, CHEMBL481359, FT-0688336, FT-0689653, Y0112, methyl (E)-2-[(3S,6'R,7'S,8'aS)-6'-ethenyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate

Molecular Formula: C22H26N2O4Molecular Weight: 382.452840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: MUVGVMUWMAGNSY-VKCGGMIFSA-N

• Isoferulic acid
IUPAC Name: (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid | CAS Registry Number: 537-73-5
Synonyms: Hesperetic acid, Hespertitinic acid, 3-Hydroxy-4-methoxycinnamic acid, MLS000563054, 103012_ALDRICH, NSC51987, EINECS 247-071-6, CID736186, Cinnamic acid, 3-hydroxy-4-methoxy-, (E)-3'-Hydroxy-4'-methoxycinnamic acid, SMR001215828, 2-Propenoic acid, 3-(3-hydroxy-4-methoxyphenyl)-, ST5135831, C10470, 3-Hydroxy-4-methoxycinnamic acid, predominantly trans, 25522-33-2, 4FE

Molecular Formula: C10H10O4Molecular Weight: 194.184000 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: QURCVMIEKCOAJU-HWKANZROSA-N

• Isofraxidin
IUPAC Name: 7-hydroxy-6,8-dimethoxychromen-2-one | CAS Registry Number: 486-21-5
Synonyms: Phytodolor, Ambap5279, Umbelliferone, 6,8-dimethoxy-, Coumarin, 7-hydroxy-6,8-dimethoxy-, AIDS348374, NSC 324637, AIDS-348374, BRN 0202652, NSC324637, ISOFRAXIDIN B814484K143, CID5318565, LS-39687, 7-Hydroxy-6,8-dimethoxy-2H-1-benzopyran-2-one, 2H-1-Benzopyran-2-one, 7-hydroxy-6,8-dimethoxy-, 5-18-04-00332 (Beilstein Handbook Reference), 2H-1- Benzopyran-2-one, 7-hydroxy-6,8-dimethoxy-

Molecular Formula: C11H10O5Molecular Weight: 222.194100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: HOEVRHHMDJKUMZ-UHFFFAOYSA-N

• ISOGINKGETIN
IUPAC Name: 8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxyphenyl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one | CAS Registry Number: 548-19-6
Synonyms: Sciadopitysin, Isoginkgetin, Spectrum_000406, SpecPlus_000433, Spectrum2_000302, Spectrum3_001112, Spectrum4_001945, Spectrum5_000819, Ambmdy00200433, BSPBio_002844, KBioGR_002352, KBioSS_000886, DivK1c_006529, SPBio_000264, 4',4'''-Dimethylamentoflavone, KBio1_001473, KBio2_000886, KBio2_003454, KBio2_006022, KBio3_002064

Molecular Formula: C32H22O10Molecular Weight: 566.511080 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 10

InChIKey: HUOOMAOYXQFIDQ-UHFFFAOYSA-N

• Isoimperatorin
IUPAC Name: 4-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one | CAS Registry Number: 482-45-1
Synonyms: Iso-imperatorin, Oprea1_630212, Oprea1_655950, MLS000574919, MLS001048978, MEGxp0_000090, STOCK1N-27740, ACon1_000176, AIDS071126, AIDS-071126, CID68081, ZINC00296185, NCGC00180809-01, SMR000156243, C055542, 7H-Furo(3,2-g)(1)benzopyran-7-one, 4-((3-methyl-2-butenyl)oxy)-, 7H-Furo[3,2-g][1]benzopyran-7-one, 4-((3-methyl-2-butenyl)oxy)-, 7H-Furo[3,2-g][1]benzopyran-7-one, 4-[(3-methyl-2-butenyl)oxy]-

Molecular Formula: C16H14O4Molecular Weight: 270.279960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: IGWDEVSBEKYORK-UHFFFAOYSA-N

• Isoliensinine
IUPAC Name: (1R)-1-[[4-hydroxy-3-[[(1R)-6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol | CAS Registry Number: 6817-41-0
Synonyms: Isoliensinin, AC1NRX6B, Ambotz6817-41-0, SureCN12807696, CHEMBL502370, MolPort-020-005-793, AKOS015902511, FT-0688349, X1166, I14-19483, (1R)-1-[[4-hydroxy-3-[[(1R)-6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol, 7-Isoquinolinol, 1,2,3,4-tetrahydro-1-((4-hydroxy-3-((1,2,3,4-tetrahydro-6-methoxy-1-((4-methoxyphenyl)methyl)-2-methyl-7-isoquinolinyl)oxy)phenyl)methyl)-6-methoxy-2-methyl-, (R-(R*,R*))-, 7-Isoquinolinol, 1,2,3,4-tetrahydro-1-[[4-hydroxy-3-[[(1R)-1,2,3,4-tetrahydro-6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-7-isoquinolinyl]oxy]phenyl]methyl]-6-methoxy-2-methyl-, (1R)-

Molecular Formula: C37H42N2O6Molecular Weight: 610.739180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: AJPXZTKPPINUKN-FIRIVFDPSA-N

• Isoliquiritigenin
IUPAC Name: (E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one | CAS Registry Number: 961-29-5
Synonyms: isoliquiritigenin, 6'-deoxychalcone, 2',4,4'-Trihydroxychalcone, 4,2',4'-Trihydroxychalcone, Spectrum5_000612, 2',4',4-Trihydroxychalcone, CCRIS 7676, GU 17, Lopac0_000681, BSPBio_003411, MLS000438943, I3766_SIGMA, SPECTRUM1504200, Chalcone, 2',4,4'-trihydroxy-, GU-17, MEGxp0_001326, ACon1_000047, EINECS 237-316-5, AIDS035379, AIDS-035379

Molecular Formula: C15H12O4Molecular Weight: 256.253380 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: DXDRHHKMWQZJHT-FPYGCLRLSA-N

• Isoliquiritin
IUPAC Name: (E)-1-(2,4-dihydroxyphenyl)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one | CAS Registry Number: 5041-81-6
Synonyms: AIDS004475, MEGxp0_001945, CHEBI:701906, MolPort-001-742-630, AIDS-004475, LMPK12120021, CID5318591, C16978, 2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(4-(beta-D-glucopyranosyloxy)phenyl)-, (2E)-, 2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-[4-(.beta.-D-glucopyranosyloxy)phenyl]-, (2E)-

Molecular Formula: C21H22O9Molecular Weight: 418.393980 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 9

InChIKey: YNWXJFQOCHMPCK-LXGDFETPSA-N

• Isoorientin
IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one | CAS Registry Number: 4261-42-1
Synonyms: Homoorientin, CHEBI:17965, AIDS026707, AIDS-026707, CID114776, NCGC00163566-01, LS-193057, C01821, 2-(3,4-Dihydroxyphenyl)-6-beta-D-glucopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-6-beta-D-glucopyranosyl-5,7-dihydroxy-, (1S)-1,5-anhydro-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-D-glucitol

Molecular Formula: C21H20O11Molecular Weight: 448.376900 [g/mol]
H-Bond Donor: 8H-Bond Acceptor: 11

InChIKey: ODBRNZZJSYPIDI-VJXVFPJBSA-N

• Isoquercitrin
IUPAC Name: 3-[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one | CAS Registry Number: 21637-25-2
Synonyms: Isoquercitroside, isoquercitin, trifoliin, Isotrifolin, trifoliin A, Isohyperoside, Isotrifoliin, quercetin-3-glucoside, quercetin-3-O-glucoside, Quercetin 3-O-glucoside, CCRIS 7093, quercetin 3-O-beta-D-glucoside, CHEBI:28299, EINECS 244-488-5, C21H20O12, CID5484006, LS-69035, 3,3',4',5,7-Pentahydroxyflavone 3-beta-D-glucofuranoside, C016527, Flavone, 3,3',4',5,7-pentahydroxy-, 3-beta-D-glucofuranoside

Molecular Formula: C21H20O12Molecular Weight: 464.376300 [g/mol]
H-Bond Donor: 8H-Bond Acceptor: 12

InChIKey: OPJZLUXFQFQYAI-GNPVFZCLSA-N

• Isorhamnetin
IUPAC Name: 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one | CAS Registry Number: 480-19-3
Synonyms: 3-Methylquercetin, Isorhamnetol, Tamarixetin, isorhamnetine, Flavonoid, iso-rhamnetin, 4'-Methylquercetin, 3'-Methoxyquercetin, 4'-Methoxyquercetin, 3-Methylquercetine, 3-methyl-quercetin, 3'-O-Methylquercetin, 4'-O-Methylquercetin, Quercetin 3'-methyl ether, Quercetin, 4'-methyl ether, CCRIS 3791, Oprea1_145406, MEGxp0_001863, 17794_FLUKA, ACon1_000275

Molecular Formula: C16H12O7Molecular Weight: 316.262280 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 7

InChIKey: IZQSVPBOUDKVDZ-UHFFFAOYSA-N

• Isorhamnetin-3-O-neohespeidoside
IUPAC Name: 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one | CAS Registry Number: 55033-90-4
Synonyms: Isorhamnetin 3-O-neohesperidin, CHEMBL442566, isorhamnetin 3-O-neohesperidoside, CI0038, FT-0688351, Y0115

Molecular Formula: C28H32O16Molecular Weight: 624.544080 [g/mol]
H-Bond Donor: 9H-Bond Acceptor: 16

InChIKey: QHLKSZBFIJJREC-SPSUIZEHSA-N

• Isorhynchophylline
IUPAC Name: methyl (E)-2-[(3S,6'R,7'S,8'aS)-6'-ethyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate | CAS Registry Number: 6859-01-4
Synonyms: Isorhyncophylline, Rhynchophylline, Rhyncophylline, 7-Isorhyncophylline, 7-Isorhyncophylline (8CI), MLS000728608, CHEBI:566736, C22H28N2O4, CID3037048, rhyncophylline, (16E,20alpha)-isomer, LS-55045, SMR000470794, (16E,20-alpha)-16,17-Didehydro-17-methoxy-2-oxo-corynoxan-16-carboxylic acid, Corynoxan-16-carboxylic acid, 16,17-didehydro-17-methoxy-2-oxo-, methyl ester, (16E,20-alpha)-

Molecular Formula: C22H28N2O4Molecular Weight: 384.468720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: DAXYUDFNWXHGBE-VKCGGMIFSA-N

• Isosinensetin
IUPAC Name: 2-(3,4-dimethoxyphenyl)-5,7,8-trimethoxychromen-4-one | CAS Registry Number: 17290-70-9
Synonyms: 6-Demethoxynobiletin, 5,7,8,3',4'-pentamethoxyflavone, 3',4',5,7,8-Pentamethoxyflavone, 2-(3,4-Dimethoxyphenyl)-5,7,8-trimethoxy-4H-chromen-4-one, AC1LCKK0, SureCN987761, UNII-63Z99S38LE, CHEMBL451707, LMPK12111403, AKOS016012041, Flavone, 3',4',5,7,8-pentamethoxy-, AK120372, KB-221450, Y0015, 2-(3,4-dimethoxyphenyl)-5,7,8-trimethoxychromen-4-one, 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,7,8-trimethoxy-

Molecular Formula: C20H20O7Molecular Weight: 372.368600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: UYCWETIUOAGWIL-UHFFFAOYSA-N

• Jatrorrhizine
IUPAC Name: 2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol | CAS Registry Number: 3621-38-3
Synonyms: jateorrhizine, neprotin, Jatrochizine, Jatrorhizine, Yatrorizine, Protoberberine alkaloid, MLS000563433, MEGxp0_001765, CHEBI:521119, MolPort-003-804-059, AIDS002692, AIDS-002692, CID72323, NSC93137 (IODIDE SALT), EINECS 222-817-3, ZINC00338122, NSC150445 (CHLORIDE SALT), NSC209410 (CHLORIDE SALT), NSC645313 (CHLORIDE SALT), 1168-00-9 (IODIDE SALT)

Molecular Formula: C20H20NO4+Molecular Weight: 338.377100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: MXTLAHSTUOXGQF-UHFFFAOYSA-O

• Jatrorrhizine hydrochloride
IUPAC Name: 2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol;hydrochloride | CAS Registry Number: 960383-96-4
Synonyms: 6681-15-8, JATRORRHIZINEHCL, C20H21ClNO4+, AKOS015902375, FT-0689392, FT-0698781, Y0118, Q-100903, I14-20045

Molecular Formula: C20H21ClNO4+Molecular Weight: 374.841 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: JKMUUZMCSNHBAX-UHFFFAOYSA-O

• Jujuboside A

Molecular Formula: C58H94O26Molecular Weight: 1207.351360 [g/mol]
H-Bond Donor: 14H-Bond Acceptor: 26

InChIKey: KVKRFLVYJLIZFD-LQRLABOESA-N

• Jujuboside B
Synonyms: JujubosideB, AKOS015965496, N1602

Molecular Formula: C52H84O21Molecular Weight: 1045.210760 [g/mol]
H-Bond Donor: 11H-Bond Acceptor: 21

InChIKey: GFOFQZZEGDPXTG-ZHUYPZMKSA-N

• kaempferide
IUPAC Name: 3,5,7-trihydroxy-2-(4-methoxyphenyl)chromen-4-one | CAS Registry Number: 491-54-3
Synonyms: Kaempferide, Kaempferid, 4'-Methylkaempferol, Kaempferol 4'-methyl ether, 4'-O-Methylkaempferol, KAMPFERIDE, CHEBI:6099, EINECS 207-738-4, 4'-Methoxy-3,5,7-trihydroxyflavone, NSC407294, AIDS071768, Flavone, 3,5,7-trihydroxy-4'-methoxy-, NSC 407294, AIDS-071768, BRN 0305378, ZINC00391145, 3,5,7-Trihydroxy-4'-methoxyflavone, CID5281666, LS-68935, ST5331656

Molecular Formula: C16H12O6Molecular Weight: 300.262880 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: SQFSKOYWJBQGKQ-UHFFFAOYSA-N

• Kaempferitrin
IUPAC Name: 5-hydroxy-2-(4-hydroxyphenyl)-3,7-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]chromen-4-one | CAS Registry Number: 482-38-2
Synonyms: Lespenefril, Lespenephryl, Lespedin, lespenephril, Kaempferol 3,7-dirhamnoside, Kaempferol 3,7-bisrhamnoside, MEGxp0_000567, ACon1_000073, CHEBI:517125, BRN 0073958, C27H30O14, CID5486199, kaempferol-3,7-O-alpha-L-dirhamnoside, NCGC00168820-01, LS-39445, 4-18-00-03292 (Beilstein Handbook Reference), 3,7-Bis((6-deoxy-alpha-L-mannopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, 4H-1-Benzopyran-4-one, 3,7-bis((6-deoxy-alpha-L-mannopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-, 3,7-bis-(alpha-6-deoxymannopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one

Molecular Formula: C27H30O14Molecular Weight: 578.518700 [g/mol]
H-Bond Donor: 8H-Bond Acceptor: 14

InChIKey: PUPKKEQDLNREIM-QNSQPKOQSA-N

• Kaempferol
IUPAC Name: 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one | CAS Registry Number: 520-18-3
Synonyms: kaempferol, Kaempherol, Kempferol, Robigenin, Pelargidenolon, Rhamnolutein, Rhamnolutin, Populnetin, Trifolitin, Swartziol, Indigo Yellow, Nimbecetin, Campherol, Kaemferol, Kampferol, Kampherol, Pelargidenon, Kampcetin, 3,4',5,7-Tetrahydroxyflavone, Pelargidenolon 1497

Molecular Formula: C15H10O6Molecular Weight: 286.236300 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 6

InChIKey: IYRMWMYZSQPJKC-UHFFFAOYSA-N

• Kirenol
IUPAC Name: (1R)-1-[(2S,4aR,4bR,6S,8R,8aS)-6-hydroxy-8-(hydroxymethyl)-2,4a,8-trimethyl-4,4b,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]ethane-1,2-diol | CAS Registry Number: 52659-56-0
Synonyms: N1303, (1R,3S,4aS,4bS,7S,10aS)-1,2,3,4,4a,4b,5,6,7,9,10,10a-Dodecahydro-3-hydroxy-7-[(R)-1,2-dihydroxyethyl]-1,4a,7-trimethylphenanthrene-1-methanol

Molecular Formula: C20H34O4Molecular Weight: 338.481560 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 4

InChIKey: MWHBZBYJEPTBBI-DSWGTCOTSA-N

• Koumine
Synonyms: CID5318846, 7,20(2H,19H)-Cyclovobasan, 1,2,18,19-tetradehydro-3,17-epoxy-, (3R,7alpha,20alpha)-

Molecular Formula: C20H22N2OMolecular Weight: 306.401480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: VTLYEMHGPMGUOT-UHFFFAOYSA-N

• Kuromanin chloride
IUPAC Name: (2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol chloride | CAS Registry Number: 7084-24-4
Synonyms: Chrysontemin, Glucocyanidin, Asterin, purple corn color, Cyanidin 3-glucoside, Cyanidol 3-glucoside, Cyanidine 3-glucoside, Cyanidin 3-O-glucoside, Cyanidin 3-monoglucoside, Chrysanthemin (6CI,8CI), cyanidin-3,5-diglucoside, Cyanidin-3-glucoside chloride, Cyanidin 3-O-beta-D-glucoside, C21H21O11.Cl, EINECS 230-384-7, CID197081, LS-40157, 2-(3,4-Dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-1-benzopyrylium chloride, 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-, chloride, 1-Benzopyrylium, 5,7-dihydroxy-2-(3,4-dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-, chloride

Molecular Formula: C21H21ClO11Molecular Weight: 484.837840 [g/mol]
H-Bond Donor: 8H-Bond Acceptor: 11

InChIKey: YTMNONATNXDQJF-UBNZBFALSA-N

• L-Carnitine
IUPAC Name: (3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate | CAS Registry Number: 541-15-1
Synonyms: L-carnitine, Levocarnitine, Carnitine, vitamin BT, Carnitor, (R)-Carnitine, (-)-Carnitine, Carnitene, Karnitin, bicarnesine, (-)-L-Carnitine, Carniking, Carnilean, Carnitolo, Carnovis, Carrier, Lefcar, Metina, (S)-carnitine, L-(-)-Carnitine

Molecular Formula: C7H15NO3Molecular Weight: 161.198900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: PHIQHXFUZVPYII-ZCFIWIBFSA-N

• L-Chicoric Acid
IUPAC Name: (2R,3R)-2,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]butanedioic acid | CAS Registry Number: 70831-56-0
Synonyms: Chicoric acid, Cichoric Acid, L-Chicoric acid, (-)-Chicoric acid, Ambap861, L-DCTA, (-)-L-Chicoric acid, Chicoric acid, (-)-, L-CA, Dicaffeoyl-L-tartaric acid, NSC699173, AIDS029768, NSC 699173, AIDS-029768, C22H18O12, CID5281764, NCGC00091914-01, LS-176843, C10437, 2,3-Bis((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)butanedioic acid

Molecular Formula: C22H18O12Molecular Weight: 474.371120 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 12

InChIKey: YDDGKXBLOXEEMN-IABMMNSOSA-N

• L-DOPA
IUPAC Name: (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid | CAS Registry Number: 59-92-7
Synonyms: levodopa, L-dopa, Dopar, Brocadopa, Cidandopa, Insulamina, Maipedopa, Dopaidan, Dopalina, Larodopa, Bendopa, Deadopa, Dopasol, Eldopal, Eldopar, Pardopa, Prodopa, Syndopa, Levopa, Dopa

Molecular Formula: C9H11NO4Molecular Weight: 197.187940 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: WTDRDQBEARUVNC-LURJTMIESA-N

• L-Tetrahydropalmatine hydrochloride
IUPAC Name: (13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline | CAS Registry Number: 10097-84-4
Synonyms: tetrahydropalmatine, Caseanine, Gindarine, Hyndarine, Rotundine, gindarin, Hyndarin, Rotundium, corydalis B, (-)-Corydalis, tetrahydropalmitine, l-Tetrahydropalmatine, (-)-Tetrahydropalmatine, (S)-Tetrahydropalmatine, Tetrahydropalmatine (6CI), C21H25NO4, CHEBI:16563, NSC36363 (HCL), (S)-isomer of tetrahydropalmatine, AIDS002241

Molecular Formula: C21H25NO4Molecular Weight: 355.427500 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: AEQDJSLRWYMAQI-KRWDZBQOSA-N

• Lathyrol
Synonyms: CID6443057, C09125

Molecular Formula: C20H30O4Molecular Weight: 334.449800 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: SDBITTRHSROXCY-ZVOALYMASA-N

• Leonurine
IUPAC Name: 4-(diaminomethylideneamino)butyl 4-hydroxy-3,5-dimethoxybenzoate | CAS Registry Number: 24697-74-3
Synonyms: 4-Guanidino-n-butyl syringate, CID161464, TL8002025, Benzoic acid, 4-hydroxy-3,5-dimethoxy-, 4-((aminoiminomethyl)amino)butyl ester, 7097-09-8

Molecular Formula: C14H21N3O5Molecular Weight: 311.333640 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 8

InChIKey: WNGSUWLDMZFYNZ-UHFFFAOYSA-N

• Levistolide A
Synonyms: Diligustilide, UNII-29MRT0H4CE, levistolide A, Levistolid A, (Z,Z)-Diligustilide, 29MRT0H4CE, (Z,Z)-di(butylidene)[?]dione, CHEBI:68231, Z,Z'-6,6',7,3'a-Diligustilide, 1H-5,10c-Ethanonaphtho(1,2-c:7,8-c')difuran-3,10-dione, 1,8-dibutylidene-5,5a,6,7,8,10b-hexahydro-, (1Z,5S,5aS,8Z,10bS,10cs)-

Molecular Formula: C24H28O4Molecular Weight: 380.476720 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: UBBRXVRQZJSDAK-ZJHGLIIDSA-N

• Licochalcone A
IUPAC Name: (E)-3-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one | CAS Registry Number: 58749-22-7
Synonyms: licochalcone a, Licochalcone-A, Synthetic, CHEBI:332036, AIDS060352, AIDS-060352, C21H22O4, HSCI1_000078, LMPK12120424, ZINC03873123, CID5318998, 3-Dimethylallyl-4,4'-dihydroxy-6-methoxychalcone, LS-122598, C070840, 2-Propen-1-one, 3-(5-(1,1-dimethyl-2-propenyl)-4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)-, (E)-, (E)-3-[5-(1,1-Dimethyl-allyl)-4-hydroxy-2-methoxy-phenyl]-1-(4-hydroxy-phenyl)-propenone, 3-[5-((E)-1,1-Dimethyl-allyl)-4-hydroxy-2-methoxy-phenyl]-1-(4-hydroxy-phenyl)-propenone, (E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one, (E)-3-[5-(1,1-Dimethyl-2-propenyl)-4-hydroxy-2-methoxyphenyl]-1-(4-hydroxyphenyl)-2-propen-1-one, 2-Propen-1-one, 3-[5-(1,1-dimethyl-2-propenyl)-4-hydroxy-2-methoxyphenyl]-1-(4-hydroxyphenyl)- (E)-

Molecular Formula: C21H22O4Molecular Weight: 338.396980 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: KAZSKMJFUPEHHW-DHZHZOJOSA-N

• Licochalcone B
IUPAC Name: (E)-3-(3,4-dihydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one | CAS Registry Number: 58749-23-8
Synonyms: AIDS095932, MolPort-005-945-511, AIDS-095932, LMPK12120434, ZINC06483435, CID5318999, NP-012489, (E)-3-(3,4-Dihydroxy-2-methoxy-phenyl)-1-(4-hydroxy-phenyl)-propenone, (E)-3-(3,4-Dihydroxy-2-methoxy-phenyl)-1-(4-hydroxy-phenyl)propenone

Molecular Formula: C16H14O5Molecular Weight: 286.279360 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: DRDRYGIIYOPBBZ-XBXARRHUSA-N


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