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• Hesperidin

IUPAC Name: (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one | CAS Registry Number: 520-26-3
Synonyms: hesperidin, Cirantin, Hesperidoside, Hesperidine, Ciratin, Hesper bitabs, Hesperetin-rutinosid, Hesperidin (JAN), Hesperidin, (2S)-, Hesperetin 7-rutinoside, Hesperetin 7-O-rutinoside, Hesperetin-7-rutinoside, USAF CF-3, Hesperetin 7-rhamnoglucoside, Hesperitin-7-rhamnoglucoside, Hesperidin, (S)-(-)-, Prestwick3_000400, (S)-(--)-hesperidin, CCRIS 3940, BSPBio_000619

Molecular Formula:	C₂₈H₃₄O₁₅	Molecular Weight:	610.560560 [g/mol]
H-Bond Donor:	8	H-Bond Acceptor:	15

InChIKey: QUQPHWDTPGMPEX-QJBIFVCTSA-N

• Homoharringtonine

Synonyms: homoharringtonine, Cephalotaxus alkaloid, Homoharringtonine (8CI), C29H39NO9, AIDS003025, NSC 141633, AIDS-003025, BRN 5687925, HSCI1_000363, NSC141633, LS-52751, Cephalotaxine, 4-methyl (2R)-2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate (ester), Cephalotaxine, 4-methyl-, 2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate (ester), Cephalotaxine, 4-methyl (2R)-2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate (ester) (9CI), Cephalotaxine, 4-methyl 2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate (ester), (3(R))-, Cephalotaxine, 4-methyl 2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate (ester), (3(R))- (9CI)

Molecular Formula:	C₂₉H₃₉NO₉	Molecular Weight:	545.621260 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	10

InChIKey: HYFHYPWGAURHIV-ZEDNPHJLSA-N

• Hupehenine

Synonyms: Y0104

Molecular Formula:	C₂₇H₄₅NO₂	Molecular Weight:	415.651700 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: NEMWYOKGHGSVSC-MSSYMPDSSA-N

• Hydroxysafflor yellow A

IUPAC Name: (6E)-2,5-dihydroxy-6-[(E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-2,4-bis[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-4-ene-1,3-dione | CAS Registry Number: 78281-02-4
Synonyms: Safflomin A, Hydroxysafflor Yellow A, CID6443665, LS-185836, 2,5-Cyclohexadien-1-one, 2,4-di-beta-D-glucopyranosyl-3,4,5-trihydroxy-6-((2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl)-, 146087-19-6

Molecular Formula:	C₂₇H₃₂O₁₆	Molecular Weight:	612.533380 [g/mol]
H-Bond Donor:	12	H-Bond Acceptor:	16

InChIKey: IAVUBSCVWHLRGE-UXEKTNMQSA-N

• Hypaconitine

Synonyms: CID441737, C08688

Molecular Formula:	C₃₃H₄₅NO₁₀	Molecular Weight:	615.711100 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	11

InChIKey: FIDOCHXHMJHKRW-VHQVDBNASA-N

• Hyperoside

IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one | CAS Registry Number: 482-36-0
Synonyms: Hyperin, Hyperosid, Hyperozide, Hyperasid, Hyperin (8CI), Quercetin 3-galactoside, Quercetin-3-galactoside, Quercetin 3-D-galactoside, Quercetin-3-O-galactoside, MLS000759538, MEGxp0_000392, 83388_FLUKA, ACon1_000623, AIDS026341, AIDS-026341, Quercetin 3-O-beta-D-galactopyranoside, EINECS 207-580-6, Quercetin-3-O-galactoside;p Hyperin, Quercetin 3-beta-D-galactopyranoside, CID5281643

Molecular Formula:	C₂₁H₂₀O₁₂	Molecular Weight:	464.376300 [g/mol]
H-Bond Donor:	8	H-Bond Acceptor:	12

InChIKey: OVSQVDMCBVZWGM-DTGCRPNFSA-N

• β,β-Dimethylacrylalkannin

IUPAC Name: [(1S)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-methylbut-2-enoate | CAS Registry Number: 34539-65-6
Synonyms: b,b-Dimethylacrylalkannin, AC1L9DAH, NCIMech_000202, SureCN4284806, CHEMBL513640, MolPort-020-005-779, Alkannin beta,beta-dimethylacrylate, 5162-01-6, CCG-35291, AK128297, C10293, [(1S)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-methylbut-2-enoate, Crotonic acid, 3-methyl-, 2-ester with 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthoquinone

Molecular Formula:	C₂₁H₂₂O₆	Molecular Weight:	370.395780 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: BATBOVZTQBLKIL-KRWDZBQOSA-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:	C₁₆H₁₀N₂O₂	Molecular Weight:	262.262800 [g/mol]
H-Bond Donor:	2	H-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:	C₁₆H₁₀N₂O₂	Molecular Weight:	262.262800 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: CRDNMYFJWFXOCH-UHFFFAOYSA-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:	C₂₀H₁₈O₈	Molecular Weight:	386.352120 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	8

InChIKey: RISXUTCDCPHJFQ-UHFFFAOYSA-N

• Isoscopoletin

IUPAC Name: 6-hydroxy-7-methoxychromen-2-one | CAS Registry Number: 776-86-3
Synonyms: scopoletin, 7-Methoxyesculetin, 7-Methyl esculetin, 6-Hydroxy-7-methoxycoumarin, Esculetin 7-methyl ether, 17795_FLUKA, AIDS026314, 6-Hydroxy-7-methoxy-2-benzopyrone, AIDS-026314, CID69894, CPD-9831, EINECS 212-282-4, ZINC01845692, NCGC00163577-01, 2H-1-Benzopyran-2-one, 6-hydroxy-7-methoxy-, 92-61-5

Molecular Formula:	C₁₀H₈O₄	Molecular Weight:	192.168120 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: SYTYLPHCLSSCOJ-UHFFFAOYSA-N

• Jujuboside A

Molecular Formula:	C₅₈H₉₄O₂₆	Molecular Weight:	1207.351360 [g/mol]
H-Bond Donor:	14	H-Bond Acceptor:	26

InChIKey: KVKRFLVYJLIZFD-LQRLABOESA-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:	C₂₀H₃₄O₄	Molecular Weight:	338.481560 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	4

InChIKey: MWHBZBYJEPTBBI-DSWGTCOTSA-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:	C₂₂H₁₈O₁₂	Molecular Weight:	474.371120 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	12

InChIKey: YDDGKXBLOXEEMN-IABMMNSOSA-N

• Liensinine diperchlorate

IUPAC Name: 4-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-2-[[(1R)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]phenol;perchloric acid | CAS Registry Number: 5088-90-4
Synonyms: MolPort-039-052-272

Molecular Formula:	C₃₇H₄₄Cl₂N₂O₁₄	Molecular Weight:	811.659 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	16

InChIKey: BGUPXKYVHOSZPY-JEAINSHJSA-N

• Ligustrazine hydrochloride

IUPAC Name: 2,3,5,6-tetramethylpyrazine hydrochloride | CAS Registry Number: 76494-51-4
Synonyms: TETRAMETHYLPYRAZINE, 1124-11-4 (Parent), CID156709, Pyrazine, tetramethyl-, hydrochloride

Molecular Formula:	C₈H₁₃ClN₂	Molecular Weight:	172.655220 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: RQKFOGXUTRDQPB-UHFFFAOYSA-N

• Linalool

IUPAC Name: 3,7-dimethylocta-1,6-dien-3-ol | CAS Registry Number: 78-70-6
Synonyms: beta-Linalool, allo-Ocimenol, p-Linalool, Linalol, .beta.-Linalool, ( )-linalool, LINALYL ALCOHOL, L-Linalool, Linalool (natural), (S)-Linalol, (+-)-Linalool, Caswell No. 526A, 3,7-Dimethylocta-1,6-dien-3-ol, FEMA Number 2635, LINOLOOL (D), 1,6-Octadien-3-ol, 3,7-dimethyl-, 2,6-Dimethylocta-2,7-dien-6-ol, 3,7-Dimethyl-1,6-octadien-3-ol, FEMA No. 2635, CCRIS 3726

Molecular Formula:	C₁₀H₁₈O	Molecular Weight:	154.249320 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: CDOSHBSSFJOMGT-UHFFFAOYSA-N

• Linarin

IUPAC Name: 5-hydroxy-2-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one | CAS Registry Number: 480-36-4
Synonyms: Acaciin, Acacetin-7-O-rutinoside, Bio-0591, CHEBI:545925, EINECS 207-547-6, ZINC04349491, CID5317025, LS-193888, 7-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-methoxyphenyl)-4H-benzopyran-4-one

Molecular Formula:	C₂₈H₃₂O₁₄	Molecular Weight:	592.545280 [g/mol]
H-Bond Donor:	7	H-Bond Acceptor:	14

InChIKey: YFVGIJBUXMQFOF-PJOVQGMDSA-N

• Lithospermic acid B

IUPAC Name: 3-(3,4-dihydroxyphenyl)-2-[(2S,3S)-2-(3,4-dihydroxyphenyl)-4-[(E)-3-[(2R)-3-(3,4-dihydroxyphenyl)-1-hydroxy-1-oxopropan-2-yl]oxy-3-oxoprop-1-enyl]-7-hydroxy-2,3-dihydro-1-benzofuran-3-carbonyl]oxypropanoic acid | CAS Registry Number: 121521-90-2
Synonyms: CID6449855, 3-(1-Carboxy-2-(3,4-dihydroxyphenyl)ethyl) 4-(3-(1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxo-1-propenyl)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-3-benzofurancarboxylate (2S-(2alpha,3beta(S*),4(E(S*))))-, 3-Benzofurancarboxylic acid, 4-(3-(1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxo-1-propenyl)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-, 3-(1-carboxy-2-(3,4-dihydroxyphenyl)ethyl) ester, (2S-(2alpha,3beta(S*),4(E(S*))))-

Molecular Formula:	C₃₆H₃₀O₁₆	Molecular Weight:	718.613800 [g/mol]
H-Bond Donor:	9	H-Bond Acceptor:	16

InChIKey: SNKFFCBZYFGCQN-ARBMFGAVSA-N

• Lobetyolin

IUPAC Name: (2R,3R,4S,5S,6R)-2-[(4E,12E)-1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol | CAS Registry Number: 136085-37-5
Synonyms: MolPort-020-005-637, X1175

Molecular Formula:	C₂₀H₂₈O₈	Molecular Weight:	396.431520 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	8

InChIKey: MMMUDYVKKPDZHS-UPPVCQNNSA-N

• Loganin

IUPAC Name: methyl (1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate | CAS Registry Number: 18524-94-2
Synonyms: Ambap726, Spectrum_001503, SpecPlus_000563, Spectrum2_001637, Spectrum3_001875, Spectrum4_001914, Spectrum5_000628, BSPBio_003350, KBioGR_002535, KBioSS_001983, DivK1c_006659, SPECTRUM1504066, SPBio_001733, MEGxp0_000723, ACon1_001749, CHEBI:15771, KBio1_001603, KBio2_001983, KBio2_004551, KBio2_007119

Molecular Formula:	C₁₇H₂₆O₁₀	Molecular Weight:	390.382340 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	10

InChIKey: AMBQHHVBBHTQBF-UOUCRYGSSA-N

• Loureirin B

IUPAC Name: 1-(4-hydroxyphenyl)-3-(2,4,6-trimethoxyphenyl)propan-1-one | CAS Registry Number: 119425-90-0
Synonyms: CID189670, LMPK12120604, 1-(4-hydroxyphenyl)-3-(2,4,6-trimethoxyphenyl)propan-1-one

Molecular Formula:	C₁₈H₂₀O₅	Molecular Weight:	316.348400 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: ZPFRAPVRYLGYEC-UHFFFAOYSA-N

• Luteolin

IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one | CAS Registry Number: 491-70-3
Synonyms: luteolin, Luteoline, Luteolol, Digitoflavone, Flacitran, Yama kariyasu, Weld Lake, Cyanidenon 1470, Prestwick_122, 3',4',5,7-Tetrahydroxyflavone, C.I. Natural Yellow 2, Prestwick0_000870, Prestwick1_000870, Prestwick2_000870, Prestwick3_000870, 5,7,3',4'-Tetrahydroxyflavone, CCRIS 3790, Lopac0_000660, Oprea1_849964, BSPBio_000919

Molecular Formula:	C₁₅H₁₀O₆	Molecular Weight:	286.236300 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	6

InChIKey: IQPNAANSBPBGFQ-UHFFFAOYSA-N

• Lysionotin

IUPAC Name: 5,7-dihydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)chromen-4-one | CAS Registry Number: 152743-19-6
Synonyms: Nevadensin, nebadensin, 4H-1-Benzopyran-4-one, 5,7-dihydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)-, 10176-66-6, Nevadensin A, AC1Q6AJK, Ambotz7500082, AC1L4OH4, SureCN2178589, CHEMBL312073, MEGxp0_001862, ACon0_001112, ACon1_000159, MolPort-021-804-611, AR-1K6781, AR-1K6782, LMPK12111442, ZINC00898952, NCGC00180824-01, X1181

Molecular Formula:	C₁₈H₁₆O₇	Molecular Weight:	344.315440 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	7

InChIKey: KRFBMPVGAYGGJE-UHFFFAOYSA-N

• Madecassic acid

IUPAC Name: 8,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid | CAS Registry Number: 18449-41-7
Synonyms: Brahmic acid, NSC88135, CID258809, NCI60_041951, 2,3,6,23-tetrahydroxyurs-12-en-28-oic acid

Molecular Formula:	C₃₀H₄₈O₆	Molecular Weight:	504.698520 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	6

InChIKey: PRAUVHZJPXOEIF-UHFFFAOYSA-N

• Madecassoside

IUPAC Name: [6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] 8,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate | CAS Registry Number: 34540-22-2
Synonyms: EINECS 252-076-1, CID161823, O-6-Deoxy-alpha-L-mannopyranosyl-(1.4)-O-beta-D-glucopyranosyl-(1.6)-beta-D-glucopyranosyl (2alpha,3beta,4alpha,6beta)-2,3,6,23-tetrahydroxyurs-12-en-28-oate

Molecular Formula:	C₄₈H₇₈O₂₀	Molecular Weight:	975.120920 [g/mol]
H-Bond Donor:	13	H-Bond Acceptor:	20

InChIKey: BNMGUJRJUUDLHW-UHFFFAOYSA-N

• magnolin

IUPAC Name: (1S,3aR,4S,6aR)-4-(3,4-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan | CAS Registry Number: 31008-18-1
Synonyms: Magnolin, CID169234, 1H,3H-Furo(3,4-c)furan, 1-(3,4-dimethoxyphenyl)tetrahydro-4-(3,4,5-trimethoxyphenyl)-, (1S-(1alpha,3alpha,4alpha,6aalpha))-

Molecular Formula:	C₂₃H₂₈O₇	Molecular Weight:	416.464220 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	7

InChIKey: MFIHSKBTNZNJIK-RZTYQLBFSA-N

• Mangiferin

IUPAC Name: 1,3,6,7-tetrahydroxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one | CAS Registry Number: 4773-96-0
Synonyms: Chinomin, Alpizarine, Alpizarin, Aphloiol, Chinoinin, Hedysarid, M3547_SIGMA, CHEBI:6682, Mangiferin Mangifera indica bark, BCBcMAP01_000240, AIDS073319, AIDS-073319, NSC248870, SMP1_000290, C10077, 1,3,6,7-tetrahydroxyxanthone C2-beta-D-glucoside, 2-beta-D-glucopyranosyl-1,3,6,7-tetrahydroxy-9H-xanthen-9-one, 9H-Xanthen-9-one, 2-.beta.-D-glucopyranosyl-1,3,6,7-tetrahydroxy-, (1S)-1,5-anhydro-1-(1,3,6,7-tetrahydroxy-9-oxo-9H-xanthen-2-yl)-D-glucitol

Molecular Formula:	C₁₉H₁₈O₁₁	Molecular Weight:	422.339620 [g/mol]
H-Bond Donor:	8	H-Bond Acceptor:	11

InChIKey: AEDDIBAIWPIIBD-ZJKJAXBQSA-N

• Methyl-Hesperidin

IUPAC Name: (2S)-2-(3,4-dimethoxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one | CAS Registry Number: 11013-97-1
Synonyms: Methyl hesperidin, STOCK1N-56894, CID5284419, (2S)-2-[3,4-bis(methyloxy)phenyl]-5-hydroxy-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside

Molecular Formula:	C₂₉H₃₆O₁₅	Molecular Weight:	624.587140 [g/mol]
H-Bond Donor:	7	H-Bond Acceptor:	15

InChIKey: GUMSHIGGVOJLBP-SLRPQMTOSA-N

• Mogroside V

IUPAC Name: (2R,3R,4S,5S,6R)-2-[[(3S,4S,5R,6R)-6-[[(3S,8S,9R,10R,11R,13R,14S,17R)-17-[(2R)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-6-hydroxy-6-methylheptan-2-yl]-11-hydroxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol | CAS Registry Number: 88901-36-4
Synonyms: Mogroside cento, N1666

Molecular Formula:	C₆₀H₁₀₂O₂₉	Molecular Weight:	1287.434480 [g/mol]
H-Bond Donor:	19	H-Bond Acceptor:	29

InChIKey: GHBNZZJYBXQAHG-WQQTUWBJSA-N

• Mollugin

IUPAC Name: methyl 6-hydroxy-2,2-dimethylbenzo[h]chromene-5-carboxylate | CAS Registry Number: 55481-88-4
Synonyms: Rubimaillin, CCRIS 6432, CHEBI:583312, CID124219, ZINC00007267, LS-188643, 2H-Naphtho(1,2-b)pyran-5-carboxylic acid, 6-hydroxy-2,2-dimethyl-, methyl ester, Methyl 6-hydroxy-2,2-dimethyl-2H-benzo[h]chromene-5-carboxylate, 2H-Naphtho[1,2-b]pyran-5-carboxylate, 2,2-dimethyl-6-hydroxy-, methyl ester

Molecular Formula:	C₁₇H₁₆O₄	Molecular Weight:	284.306540 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: VLGATXOTCNBWIT-UHFFFAOYSA-N

• Momordin Ic

IUPAC Name: (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid | CAS Registry Number: 96990-18-0
Synonyms: Scoparianoside B, CHEBI:564118, CID176596, 3-O-[beta-D-xylopyranosyl(1->3)-beta-D-glucopyranosiduronic acid]oleanolic acid, 195971-47-2, beta-D-Glucopyranosiduronic acid, (3beta)-17-carboxy-28-norolean-18-en-3-yl 3-O-betaD-xylopyranosyl-

Molecular Formula:	C₄₁H₆₄O₁₃	Molecular Weight:	764.939060 [g/mol]
H-Bond Donor:	7	H-Bond Acceptor:	13

InChIKey: HWYBGIDROCYPOE-WEAQAMGWSA-N

• Murrayone

IUPAC Name: 7-methoxy-8-(3-methyl-2-oxobut-3-enyl)chromen-2-one | CAS Registry Number: 19668-69-0
Synonyms: AC1NSYVW, ZINC13374379, 7-methoxy-8-(3-methyl-2-oxobut-3-enyl)chromen-2-one

Molecular Formula:	C₁₅H₁₄O₄	Molecular Weight:	258.269260 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: IISMOXLSZASLDD-UHFFFAOYSA-N

• N-Triacontanol

IUPAC Name: triacontan-1-ol | CAS Registry Number: 593-50-0
Synonyms: 1-Triacontanol, Myricyl alcohol, Melissyl alcohol, n-Triacontanol, Triacontan-1-ol, Triacontanol-1, Triacontyl alcohol, triacontanyl alcohol, 1-Hydroxytriacontane, Myricyl alcohol (VAN), Ambap155, T3777_SIGMA, CHEBI:28409, EINECS 209-794-5, NSC405588, NSC 402492, NSC 405588, CPD-7877, LMFA05000006, NSC402492

Molecular Formula:	C₃₀H₆₂O	Molecular Weight:	438.812680 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: REZQBEBOWJAQKS-UHFFFAOYSA-N

• Neferine

IUPAC Name: 4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-[[(1R)-6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]phenol | CAS Registry Number: 2292-16-2
Synonyms: Neferin, CHEBI:623230, MolPort-003-804-322, C38H44N2O6, BRN 1523459, CID159654, LS-105140, Phenol, 4-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)-2-((1,2,3,4-tetrahydro-6-methoxy-1-((4-methoxyphenyl)methyl)-2-methyl-7-isoquinolinyl)oxy)-

Molecular Formula:	C₃₈H₄₄N₂O₆	Molecular Weight:	624.765760 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	8

InChIKey: MIBATSHDJRIUJK-ROJLCIKYSA-N

• Nitidine chloride

IUPAC Name: 2,3-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium chloride | CAS Registry Number: 13063-04-2
Synonyms: Nitidine, chloride, Nitidine, chloride (8CI), C21H18NO4.Cl, NSC146397, 6872-57-7 (Parent), CHEBI:103663, NSC 146397, CID25659, LS-34780, WLN: T G6 D6 C665 EK SO UO THJ E1 IO1 JO1 &G, 2,3-Dimethoxy-12-methyl-(1,3)-benzodioxolo(5,6-c)phenanthridinium chloride, (1,3)-BENZODIOXOLO(5,6-c)PHENANTHRIDINIUM, 2,3-DIMETHOXY-12-METHYL-, CHLORIDE, [1,3]Benzodioxolo[5,6-c]phenanthridinium, 2,3-dimethoxy-12-methyl-, chloride, 2,3-Dimethoxy-12-methyl-[1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridin-12-ium; chloride

Molecular Formula:	C₂₁H₁₈ClNO₄	Molecular Weight:	383.824920 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: QLDAACVSUMUMOR-UHFFFAOYSA-M

• Nobiletin

IUPAC Name: 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one | CAS Registry Number: 478-01-3
Synonyms: Hexamethoxyflavone, Flavonoid, Spectrum2_001697, Spectrum3_000921, Spectrum4_001020, KBioGR_001519, MLS000574877, MLS000759462, MLS000877030, SPECTRUM1505268, SPBio_001654, CCRIS 9012, MEGxp0_000930, NSC76751, ACon1_000921, KBio3_001922, NSC 76751, AIDS003056, AIDS-003056, C21H22O8

Molecular Formula:	C₂₁H₂₂O₈	Molecular Weight:	402.394580 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	8

InChIKey: MRIAQLRQZPPODS-UHFFFAOYSA-N

• Notoginsenoside R1

IUPAC Name: (2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol | CAS Registry Number: 80418-24-2
Synonyms: Ambap6202, C08961

Molecular Formula:	C₄₇H₈₀O₁₈	Molecular Weight:	933.127300 [g/mol]
H-Bond Donor:	12	H-Bond Acceptor:	18

InChIKey: LLPWNQMSUYAGQI-OOSPGMBYSA-N

• Nuciferine

Synonyms: Nuciferin, l-Nuciferine, Sanjoinine E, nuciferine,HCl, (-)-Nucipherine, l-5,6-Dimethoxyaporphine, (R)-1,2-Dimethoxyaporphine, 1,2-Dimethoxy-6abeta-aporphine, CHEBI:562581, AIDS189198, AIDS-189198, CID10146, 6a-beta-APORPHINE, 1,2-DIMETHOXY-, LS-21471, 4H-Dibenzo(de,g)quinoline, 5,6,6a,7-tetrahydro-1,2-dimethoxy-6-methyl-, (R)-, 4H-Dibenzo(de,g)quinoline, 5,6,6a,7-tetrahydro-1,2-dimethoxy-6-methyl-, (R)- (9CI)

Molecular Formula:	C₁₉H₂₁NO₂	Molecular Weight:	295.375540 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: ORJVQPIHKOARKV-OAHLLOKOSA-N

• O-Methyldauricine

IUPAC Name: (1R)-1-[[4-[5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline | CAS Registry Number: 2202-17-7
Synonyms: O,O-Dimethylcuspidaline, O,O-Dimethyldauricinoline, CHEBI:546115, CID200521, Dauricine, O-methyl- (6CI,7CI,8CI), LS-85912, Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-((4-(2-methoxy-5-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)phenyl)methyl)-2-methyl-, (R-(R*,R*))-

Molecular Formula:	C₃₉H₄₆N₂O₆	Molecular Weight:	638.792340 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	8

InChIKey: UHYCXSGUNAWVBW-CZNDPXEESA-N

• Oleanolic Acid

IUPAC Name: (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid | CAS Registry Number: 508-02-1
Synonyms: Caryophyllin, OLEANOLIC ACID, Astrantiagenin C, Giganteumgenin C, Virgaureagenin B, Oleanic acid, CCRIS 6493, MLS000697656, O5504_SIGMA, NSC114945, CHEBI:37659, EINECS 208-081-6, 3beta-Hydroxyolean-12-en-28-oic acid, AIDS014809, NSC 114945, AIDS-014809, CID10494, 3-beta-Hydroxyolean-12-en-28-oic acid, LS-98296, SMR000445561

Molecular Formula:	C₃₀H₄₈O₃	Molecular Weight:	456.700320 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: MIJYXULNPSFWEK-GTOFXWBISA-N

• Oridonin

Synonyms: Rubescensin A, NSC637458, NCI60_012412

Molecular Formula:	C₂₀H₂₈O₆	Molecular Weight:	364.432720 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	6

InChIKey: SDHTXBWLVGWJFT-AKQQBLALSA-N

• Osthole

IUPAC Name: 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one | CAS Registry Number: 484-12-8
Synonyms: Osthol, Ostole, Ostol, Spectrum_001542, SpecPlus_000946, Spectrum2_000723, Spectrum3_001645, Spectrum4_001687, Spectrum5_000334, 7-Methoxy-8-isopentenylcoumarin, 8-(3-Methyl-2-butenyl)herniarin, Oprea1_642606, Oprea1_873803, BSPBio_003369, KBioGR_001954, KBioSS_002022, MLS000574904, MLS001048988, DivK1c_007042, SPECTRUM1504165

Molecular Formula:	C₁₅H₁₆O₃	Molecular Weight:	244.285740 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: MBRLOUHOWLUMFF-UHFFFAOYSA-N

• Oxymatrine

Synonyms: Matrine N-oxide, Matrine oxide, Ammothamnine, Matrine, 1-oxide, Matrine 1beta-oxide, MLS001215101, BB_NC-1061, C15H24N2O2, CID114850, ZINC03881804, Matridin-15-one, 1-oxide, (1-beta)-, LS-89364, SMR000543093, C10749, 1H,5H,10H-Dipyrido(2,1-f:3',2',1'-ij)(1,6)naphthyridin-10-one, dodecahydro-, 4-oxide, (4R,7aS,13aR,13bR,13cS)-

Molecular Formula:	C₁₅H₂₄N₂O₂	Molecular Weight:	264.363260 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: XVPBINOPNYFXID-LHDUFFHYSA-N

• Paeoniflorin

Synonyms: Paeonia moutan, Paeony root, Ambap3981, AIDS002238, AIDS-002238, NSC178886, C09959, .beta.-D-Glucopyranoside, (1aR,2S,3aR,5R,5aR,5bS)-5b-[(benzoyloxy)methyl]tetrahydro-5-hydroxy-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta[cd]pentalen-1a(2H)-yl

Molecular Formula:	C₂₃H₂₈O₁₁	Molecular Weight:	480.461820 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	11

InChIKey: YKRGDOXKVOZESV-WRJNSLSBSA-N

• Panaxadiol

IUPAC Name: 4,4,8,10,14-pentamethyl-17-(2,6,6-trimethyloxan-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol | CAS Registry Number: 19666-76-3
Synonyms: NSC308879, CID328778, NCI60_002646, 4,4,8,10,14-Pentamethyl-17-(2,6,6-trimethyltetrahydro-2H-pyran-2-yl)gonane-3,12-diol, 4,4,8,10,14-Pentamethyl-17-(perhydro-2,6,6-trimethyl-2H-pyran-2-yl)-5alpha-gonane-3beta,12beta-diol

Molecular Formula:	C₃₀H₅₂O₃	Molecular Weight:	460.732080 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: PVLHOJXLNBFHDX-UHFFFAOYSA-N

• Panaxatriol

IUPAC Name: (3S,5R,6R,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2R)-2,6,6-trimethyloxan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-triol | CAS Registry Number: 32791-84-7
Synonyms: Ambap5262, AIDS031251, AIDS-031251, CID73599, NSC308880, NSC 308880, (3beta,6alpha,12beta,20R)-20,25-Epoxydammarane-3,6,12-triol, Dammarane-3,6,12-triol, 20,25-epoxy-, (3.beta.,6.beta.,12.beta.,20R)-

Molecular Formula:	C₃₀H₅₂O₄	Molecular Weight:	476.731480 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: QFJUYMMIBFBOJY-UXZRXANASA-N

• Papaverine Hcl

IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline hydrochloride | CAS Registry Number: 61-25-6
Synonyms: Pavabid, papaverine, Cardiospan, Cardoverina, Papaversan, Artegodan, Cepaverin, Cerespan, Dispamil, Drapavel, Forpavin, Papalease, Pavagrant, Pavatest, Paverolan, Therapav, Vasospan, Cerebid, Copavin, Delapav

Molecular Formula:	C₂₀H₂₂ClNO₄	Molecular Weight:	375.845980 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: UOTMYNBWXDUBNX-UHFFFAOYSA-N

• Patchouli alcohol

Synonyms: CID442384, C09705

Molecular Formula:	C₁₅H₂₆O	Molecular Weight:	222.366340 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: GGHMUJBZYLPWFD-DUNKBJDJSA-N

• Pectolinarin

IUPAC Name: 5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one | CAS Registry Number: 28978-02-1
Synonyms: STOCK1N-08706, CID168849, 4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-, 7-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one

Molecular Formula:	C₂₉H₃₄O₁₅	Molecular Weight:	622.571260 [g/mol]
H-Bond Donor:	7	H-Bond Acceptor:	15

InChIKey: DUXQKCCELUKXOE-CBBZIXHGSA-N