TCM-ID Herb

TCM Herb: 黄芩

Herb ID	TCMH986
Latin Name	Scutellaria baicalensis
English Name	Root of Baikal skullcaap
Chinese Pinyin Name	Huang Qin
Chinese Name	黄芩
Barcode ID	ITSAP4211-14
Barcode Source	BOLDSYSTEMS

Ingredient Structrual Cards

Ingredient ID: TCMC937
Formula: C18H20O5

Common Name	Combretastatin A4
IUPAC Name	2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
Canonical SMILES	COc1cc(/C=Cc2ccc(c(c2)O)OC)cc(c1OC)OC
Standard InCHI	InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-
Standard InCHIKey	HVXBOLULGPECHP-WAYWQWQTSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC908
Formula: C15H10O4

Common Name	Chrysin
IUPAC Name	5,7-dihydroxy-2-phenylchromen-4-one
Canonical SMILES	Oc1cc(O)c2c(c1)oc(cc2=O)c1ccccc1
Standard InCHI	InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H
Standard InCHIKey	RTIXKCRFFJGDFG-UHFFFAOYSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC897
Formula: C16H18O9

Common Name	Chlorogenic Acid
IUPAC Name	(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid
Canonical SMILES	O=C(O[C@@H]1C[C@@](O)(C[C@H]([C@H]1O)O)C(=O)O)/C=C/c1ccc(c(c1)O)O
Standard InCHI	InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1
Standard InCHIKey	CWVRJTMFETXNAD-JUHZACGLSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC841
Formula: C10H10O

Common Name	Butenone
IUPAC Name	(E)-4-phenylbut-3-en-2-one
Canonical SMILES	CC(=O)/C=C/c1ccccc1
Standard InCHI	InChI=1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+
Standard InCHIKey	BWHOZHOGCMHOBV-BQYQJAHWSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC756
Formula: C21H18O11

Common Name	Baicalin
IUPAC Name	(2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Canonical SMILES	OC(=O)[C@H]1O[C@@H](Oc2cc3oc(cc(=O)c3c(c2O)O)c2ccccc2)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1
Standard InCHIKey	IKIIZLYTISPENI-ZFORQUDYSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC755
Formula: C15H10O5

Common Name	Baicalein
IUPAC Name	5,6,7-trihydroxy-2-phenylchromen-4-one
Canonical SMILES	Oc1cc2oc(cc(=O)c2c(c1O)O)c1ccccc1
Standard InCHI	InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H
Standard InCHIKey	FXNFHKRTJBSTCS-UHFFFAOYSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC7360
Formula: C16H14O6

Common Name	7,2'6'-Trihydroxy-5-Methoxyflavanone
IUPAC Name	(2S)-2-(2,6-dihydroxyphenyl)-7-hydroxy-5-methoxy-2,3-dihydrochromen-4-one
Canonical SMILES	COc1cc(O)cc2c1C(=O)C[C@H](O2)c1c(O)cccc1O
Standard InCHI	InChI=1S/C16H14O6/c1-21-12-5-8(17)6-13-16(12)11(20)7-14(22-13)15-9(18)3-2-4-10(15)19/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1
Standard InCHIKey	LUSOAMBDAXTEBX-AWEZNQCLSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC7299
Formula: C23H24O13

Common Name	Viscidulin Iii-6'-O-Β-D-Glucopyranoside
IUPAC Name	5,7-dihydroxy-2-[3-hydroxy-2-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-8-methoxychromen-4-one
Canonical SMILES	OC[C@H]1O[C@@H](Oc2ccc(c(c2c2cc(=O)c3c(o2)c(OC)c(cc3O)O)OC)O)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C23H24O13/c1-32-20-8(25)3-4-12(35-23-19(31)18(30)17(29)14(7-24)36-23)16(20)13-6-10(27)15-9(26)5-11(28)21(33-2)22(15)34-13/h3-6,14,17-19,23-26,28-31H,7H2,1-2H3/t14-,17-,18+,19-,23-/m1/s1
Standard InCHIKey	KCQRDVPUUNCDDW-ARSJFUCGSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC710
Formula: C15H10O5

Common Name	Apigenin
IUPAC Name	5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Canonical SMILES	Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O
Standard InCHI	InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
Standard InCHIKey	KZNIFHPLKGYRTM-UHFFFAOYSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC6772
Formula: C16H14O6

Common Name	5,7,4'-Trihydroxy-6-Methoxyflavanone
IUPAC Name	(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
Canonical SMILES	COc1c(O)cc2c(c1O)C(=O)C[C@H](O2)c1ccc(cc1)O
Standard InCHI	InChI=1S/C16H14O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-5,7,12,17,19-20H,6H2,1H3/t12-/m0/s1
Standard InCHIKey	FCXRFTLSXMRXTM-LBPRGKRZSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC6548
Formula: C18H16O8

Common Name	5,2',5'-Trihydroxy-6,7,8-Trimethoxyflavone
IUPAC Name	2-(2,5-dihydroxyphenyl)-5-hydroxy-6,7,8-trimethoxychromen-4-one
Canonical SMILES	COc1c(OC)c(OC)c(c2c1oc(cc2=O)c1cc(O)ccc1O)O
Standard InCHI	InChI=1S/C18H16O8/c1-23-16-14(22)13-11(21)7-12(9-6-8(19)4-5-10(9)20)26-15(13)17(24-2)18(16)25-3/h4-7,19-20,22H,1-3H3
Standard InCHIKey	PVSHCMCDBFRZFY-UHFFFAOYSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC6194
Formula: C22H20O11

Common Name	Oroxylin A 7-O-Glucuronide
IUPAC Name	(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid
Canonical SMILES	COc1c(O[C@@H]2O[C@H](C(=O)[O-])[C@H]([C@@H]([C@H]2O)O)O)cc2c(c1O)c(=O)cc(o2)c1ccccc1
Standard InCHI	InChI=1S/C22H20O11/c1-30-19-13(32-22-18(27)16(25)17(26)20(33-22)21(28)29)8-12-14(15(19)24)10(23)7-11(31-12)9-5-3-2-4-6-9/h2-8,16-18,20,22,24-27H,1H3,(H,28,29)/p-1/t16-,17-,18+,20-,22+/m0/s1
Standard InCHIKey	QXIPXNZUEQYPLZ-QSUZLTIMSA-M
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC614
Formula: C29H36O15

Common Name	Acetoside
IUPAC Name	[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Canonical SMILES	OC[C@H]1O[C@@H](OCCc2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1OC(=O)/C=C/c1ccc(c(c1)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O
Standard InCHI	InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1
Standard InCHIKey	FBSKJMQYURKNSU-ZLSOWSIRSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC606
Formula: C16H12O5

Common Name	Acacetin
IUPAC Name	5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
Canonical SMILES	COc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O
Standard InCHI	InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3
Standard InCHIKey	DANYIYRPLHHOCZ-UHFFFAOYSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC534
Formula: C16H14O5

Common Name	5,7-Dihydroxy-6-Methoxy-2-Phenyl-2,3-Dihydrochromen-4-One
IUPAC Name	5,7-dihydroxy-6-methoxy-2-phenyl-2,3-dihydrochromen-4-one
Canonical SMILES	COc1c(O)cc2c(c1O)C(=O)CC(O2)c1ccccc1
Standard InCHI	InChI=1S/C16H14O5/c1-20-16-11(18)8-13-14(15(16)19)10(17)7-12(21-13)9-5-3-2-4-6-9/h2-6,8,12,18-19H,7H2,1H3
Standard InCHIKey	QUAPPCXFYKSDSV-UHFFFAOYSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC522
Formula: C15H10O5

Common Name	5,7-Dihydroxy-2-(2-Hydroxyphenyl)Chromen-4-One
IUPAC Name	5,7-dihydroxy-2-(2-hydroxyphenyl)chromen-4-one
Canonical SMILES	Oc1cc(O)c2c(c1)oc(cc2=O)c1ccccc1O
Standard InCHI	InChI=1S/C15H10O5/c16-8-5-11(18)15-12(19)7-13(20-14(15)6-8)9-3-1-2-4-10(9)17/h1-7,16-18H
Standard InCHIKey	OFYPDAKTVZXXPC-UHFFFAOYSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC519
Formula: C21H20O10

Common Name	5,6-Dihydroxy-2-Phenyl-7-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxychromen-4-One
IUPAC Name	5,6-dihydroxy-2-phenyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Canonical SMILES	OC[C@H]1O[C@@H](Oc2cc3oc(cc(=O)c3c(c2O)O)c2ccccc2)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C21H20O10/c22-8-14-17(25)19(27)20(28)21(31-14)30-13-7-12-15(18(26)16(13)24)10(23)6-11(29-12)9-4-2-1-3-5-9/h1-7,14,17,19-22,24-28H,8H2/t14-,17-,19+,20-,21-/m1/s1
Standard InCHIKey	IPQKDIRUZHOIOM-IAAKTDFRSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC5009
Formula: C22H22O10

Common Name	Wogonin 5-Β-D-Glucoside
IUPAC Name	7-hydroxy-8-methoxy-2-phenyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Canonical SMILES	OC[C@H]1O[C@@H](Oc2cc(O)c(c3c2c(=O)cc(o3)c2ccccc2)OC)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C22H22O10/c1-29-20-12(25)8-14(31-22-19(28)18(27)17(26)15(9-23)32-22)16-11(24)7-13(30-21(16)20)10-5-3-2-4-6-10/h2-8,15,17-19,22-23,25-28H,9H2,1H3/t15-,17-,18+,19-,22-/m1/s1
Standard InCHIKey	DIRSNBJJSCNRKL-DRASZATQSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC4906
Formula: C16H12O6

Common Name	5,7,2'-Trihydroxy-6-Methoxyflavone
IUPAC Name	5,7-dihydroxy-2-(2-hydroxyphenyl)-6-methoxychromen-4-one
Canonical SMILES	COc1c(O)cc2c(c1O)c(=O)cc(o2)c1ccccc1O
Standard InCHI	InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-4-2-3-5-9(8)17/h2-7,17,19-20H,1H3
Standard InCHIKey	VHNWVABJHPRFGC-UHFFFAOYSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC4904
Formula: C17H14O7

Common Name	5,7,2'-Trihydroxy-8,6'-Dimethoxyflavone
IUPAC Name	5,7-dihydroxy-2-(2-hydroxy-6-methoxyphenyl)-8-methoxychromen-4-one
Canonical SMILES	COc1cccc(c1c1cc(=O)c2c(o1)c(OC)c(cc2O)O)O
Standard InCHI	InChI=1S/C17H14O7/c1-22-12-5-3-4-8(18)15(12)13-7-10(20)14-9(19)6-11(21)16(23-2)17(14)24-13/h3-7,18-19,21H,1-2H3
Standard InCHIKey	OBPTWCJIAIXDRP-UHFFFAOYSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC4903
Formula: C17H14O7

Common Name	5,2',6'-Trihydroxy-7,8-Dimethoxyflavone
IUPAC Name	2-(2,6-dihydroxyphenyl)-5-hydroxy-7,8-dimethoxychromen-4-one
Canonical SMILES	COc1cc(O)c2c(c1OC)oc(cc2=O)c1c(O)cccc1O
Standard InCHI	InChI=1S/C17H14O7/c1-22-13-7-11(21)15-10(20)6-12(24-17(15)16(13)23-2)14-8(18)4-3-5-9(14)19/h3-7,18-19,21H,1-2H3
Standard InCHIKey	GWRFNPJGKCUUSJ-UHFFFAOYSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC4885
Formula: C16H14O6

Common Name	2,6,2',4'-Tetrahydroxy-6’-Methoxychalcone
IUPAC Name	(E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-(2,6-dihydroxyphenyl)prop-2-en-1-one
Canonical SMILES	COc1cc(O)cc(c1C(=O)/C=C/c1c(O)cccc1O)O
Standard InCHI	InChI=1S/C16H14O6/c1-22-15-8-9(17)7-14(21)16(15)13(20)6-5-10-11(18)3-2-4-12(10)19/h2-8,17-19,21H,1H3/b6-5+
Standard InCHIKey	XFUBPGKNMBCAHX-AATRIKPKSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC4884
Formula: C15H10O6

Common Name	5,7,2',6'-Tetrahydroxyflavone
IUPAC Name	2-(2,6-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
Canonical SMILES	Oc1cc(O)c2c(c1)oc(cc2=O)c1c(O)cccc1O
Standard InCHI	InChI=1S/C15H10O6/c16-7-4-10(19)15-11(20)6-13(21-12(15)5-7)14-8(17)2-1-3-9(14)18/h1-6,16-19H
Standard InCHIKey	WJXXUIYFPVIHDH-UHFFFAOYSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC4883
Formula: C15H10O6

Common Name	5,7,2',3'-Tetrahydroxyflavone
IUPAC Name	2-(2,3-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
Canonical SMILES	Oc1cc(O)c2c(c1)oc(cc2=O)c1cccc(c1O)O
Standard InCHI	InChI=1S/C15H10O6/c16-7-4-10(18)14-11(19)6-12(21-13(14)5-7)8-2-1-3-9(17)15(8)20/h1-6,16-18,20H
Standard InCHIKey	STAGATUVRDVEAT-UHFFFAOYSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC4857
Formula: C16H12O6

Common Name	Scutevulin
IUPAC Name	5,7-dihydroxy-2-(2-hydroxyphenyl)-8-methoxychromen-4-one
Canonical SMILES	COc1c(O)cc(c2c1oc(cc2=O)c1ccccc1O)O
Standard InCHI	InChI=1S/C16H12O6/c1-21-15-12(20)6-10(18)14-11(19)7-13(22-16(14)15)8-4-2-3-5-9(8)17/h2-7,17-18,20H,1H3
Standard InCHIKey	XCBMYKIKEHGYAR-UHFFFAOYSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC4829
Formula: C15H10O7

Common Name	3,5,7,2',6'-Pentahydroxy Flavone
IUPAC Name	2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
Canonical SMILES	Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1c(O)cccc1O
Standard InCHI	InChI=1S/C15H10O7/c16-6-4-9(19)12-10(5-6)22-15(14(21)13(12)20)11-7(17)2-1-3-8(11)18/h1-5,16-19,21H
Standard InCHIKey	NULZZCUABWZIRV-UHFFFAOYSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC4825
Formula: C17H14O6

Common Name	Skullcapflavone I
IUPAC Name	5-hydroxy-2-(2-hydroxyphenyl)-7,8-dimethoxychromen-4-one
Canonical SMILES	COc1cc(O)c2c(c1OC)oc(cc2=O)c1ccccc1O
Standard InCHI	InChI=1S/C17H14O6/c1-21-14-8-12(20)15-11(19)7-13(23-17(15)16(14)22-2)9-5-3-4-6-10(9)18/h3-8,18,20H,1-2H3
Standard InCHIKey	CZRGNFVQUYWGKP-UHFFFAOYSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC4729
Formula: C22H22O9

Common Name	8-Methoxy-5-O-Glucoside Flavone
IUPAC Name	8-methoxy-2-phenyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Canonical SMILES	OC[C@H]1O[C@@H](Oc2ccc(c3c2c(=O)cc(o3)c2ccccc2)OC)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C22H22O9/c1-28-14-8-7-13(30-22-20(27)19(26)18(25)16(10-23)31-22)17-12(24)9-15(29-21(14)17)11-5-3-2-4-6-11/h2-9,16,18-20,22-23,25-27H,10H2,1H3/t16-,18-,19+,20-,22-/m1/s1
Standard InCHIKey	DGLBFMRIIDZOJI-QKYBYQKWSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC4631
Formula: C31H40O15

Common Name	2-(3-Hydroxy-4-Methoxyphenyl)-Ethyl-1-O-Α-L-Rhamnosyl-(1→3)-Β-D-(4-Feruloyl)-Glucoside
IUPAC Name	[(2R,3R,4R,5R,6R)-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-(hydroxymethyl)-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
Canonical SMILES	OC[C@H]1O[C@@H](OCCc2ccc(c(c2)O)OC)[C@@H]([C@H]([C@@H]1OC(=O)/C=C/c1ccc(c(c1)O)OC)O[C@@H]1O[C@H](C)[C@H]([C@@H]([C@@H]1O)O)O)O
Standard InCHI	InChI=1S/C31H40O15/c1-15-24(36)25(37)26(38)31(43-15)46-29-27(39)30(42-11-10-17-5-8-21(41-3)19(34)13-17)44-22(14-32)28(29)45-23(35)9-6-16-4-7-20(40-2)18(33)12-16/h4-9,12-13,15,22,24-34,36-39H,10-11,14H2,1-3H3/b9-6+/t15-,22-,24-,25+,26+,27-,28-,29-,30-,31+/m1/s1
Standard InCHIKey	VDWSYBFEQXWINA-GFKCUEKNSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC4516
Formula: C19H18O8

Common Name	5,7-Dihydroxy-6,8,2',3'-Tetramethoxyflavone
IUPAC Name	2-(2,3-dimethoxyphenyl)-5,7-dihydroxy-6,8-dimethoxychromen-4-one
Canonical SMILES	COc1c(OC)cccc1c1cc(=O)c2c(o1)c(OC)c(c(c2O)OC)O
Standard InCHI	InChI=1S/C19H18O8/c1-23-11-7-5-6-9(16(11)24-2)12-8-10(20)13-14(21)18(25-3)15(22)19(26-4)17(13)27-12/h5-8,21-22H,1-4H3
Standard InCHIKey	DSNICWRJCXGVEE-UHFFFAOYSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC4408
Formula: C28H48O

Common Name	Campesterol,M-Cresol
IUPAC Name	(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Canonical SMILES	O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CC[C@@H](C(C)C)C)C)C)C1)C
Standard InCHI	InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20+,22-,23-,24+,25-,26-,27-,28+/m0/s1
Standard InCHIKey	SGNBVLSWZMBQTH-ZRUUVFCLSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC4355
Formula: C15H10O5

Common Name	Norwogonin
IUPAC Name	5,7,8-trihydroxy-2-phenylchromen-4-one
Canonical SMILES	Oc1cc(O)c2c(c1O)oc(cc2=O)c1ccccc1
Standard InCHI	InChI=1S/C15H10O5/c16-9-6-11(18)14(19)15-13(9)10(17)7-12(20-15)8-4-2-1-3-5-8/h1-7,16,18-19H
Standard InCHIKey	ZFKKRRMUPBBYRS-UHFFFAOYSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC4352
Formula: C15H10O6

Common Name	Isoscutellarein
IUPAC Name	5,7,8-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Canonical SMILES	Oc1ccc(cc1)c1cc(=O)c2c(o1)c(O)c(cc2O)O
Standard InCHI	InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)12-6-10(18)13-9(17)5-11(19)14(20)15(13)21-12/h1-6,16-17,19-20H
Standard InCHIKey	NXHQVROAKYDSNW-UHFFFAOYSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC4324
Formula: C29H48O

Common Name	Stigmasterol
IUPAC Name	(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Canonical SMILES	CC[C@H](C(C)C)/C=C/[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C
Standard InCHI	InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1
Standard InCHIKey	HCXVJBMSMIARIN-KEJCWXRGSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC4275
Formula: C17H14O8

Common Name	5,7,2',5'-Tetrahydroxy-8,6'-Dimethoxy Flavone
IUPAC Name	2-(3,6-dihydroxy-2-methoxyphenyl)-5,7-dihydroxy-8-methoxychromen-4-one
Canonical SMILES	COc1c(O)ccc(c1c1cc(=O)c2c(o1)c(OC)c(cc2O)O)O
Standard InCHI	InChI=1S/C17H14O8/c1-23-15-8(19)4-3-7(18)14(15)12-6-10(21)13-9(20)5-11(22)16(24-2)17(13)25-12/h3-6,18-20,22H,1-2H3
Standard InCHIKey	CPFJPTACQDZPLS-UHFFFAOYSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC4257
Formula: C22H20O11

Common Name	Wogonoside
IUPAC Name	(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-8-methoxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid
Canonical SMILES	COc1c(O[C@@H]2O[C@H](C(=O)[O-])[C@H]([C@@H]([C@H]2O)O)O)cc(c2c1oc(cc2=O)c1ccccc1)O
Standard InCHI	InChI=1S/C22H20O11/c1-30-18-13(32-22-17(27)15(25)16(26)20(33-22)21(28)29)8-11(24)14-10(23)7-12(31-19(14)18)9-5-3-2-4-6-9/h2-8,15-17,20,22,24-27H,1H3,(H,28,29)/p-1/t15-,16-,17+,20-,22+/m0/s1
Standard InCHIKey	LNOHXHDWGCMVCO-NTKSAMNMSA-M
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC417
Formula: C15H10O5

Common Name	3',4',7-Trihydroxyflavon
IUPAC Name	2-(3,4-dihydroxyphenyl)-7-hydroxychromen-4-one
Canonical SMILES	Oc1ccc2c(c1)oc(cc2=O)c1ccc(c(c1)O)O
Standard InCHI	InChI=1S/C15H10O5/c16-9-2-3-10-12(18)7-14(20-15(10)6-9)8-1-4-11(17)13(19)5-8/h1-7,16-17,19H
Standard InCHIKey	PVFGJHYLIHMCQD-UHFFFAOYSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC3975
Formula: C16H12O5

Common Name	7-Methoxybaicalein
IUPAC Name	5,6-dihydroxy-7-methoxy-2-phenylchromen-4-one
Canonical SMILES	COc1cc2oc(cc(=O)c2c(c1O)O)c1ccccc1
Standard InCHI	InChI=1S/C16H12O5/c1-20-13-8-12-14(16(19)15(13)18)10(17)7-11(21-12)9-5-3-2-4-6-9/h2-8,18-19H,1H3
Standard InCHIKey	ZTHLHHDJRXJGRX-UHFFFAOYSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC3966
Formula: C29H50O

Common Name	Sitosterol,Β-Sitosterol
IUPAC Name	(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Canonical SMILES	CC[C@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C
Standard InCHI	InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1
Standard InCHIKey	KZJWDPNRJALLNS-FBZNIEFRSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC3700
Formula: C17H14O5

Common Name	5-Hydroxy-7,8-Dimethoxyflavone
IUPAC Name	5-hydroxy-7,8-dimethoxy-2-phenylchromen-4-one
Canonical SMILES	COc1c(OC)cc(c2c1oc(cc2=O)c1ccccc1)O
Standard InCHI	InChI=1S/C17H14O5/c1-20-14-9-12(19)15-11(18)8-13(10-6-4-3-5-7-10)22-17(15)16(14)21-2/h3-9,19H,1-2H3
Standard InCHIKey	IHLSBQVBFDTNTC-UHFFFAOYSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC3560
Formula: C18H16O7

Common Name	5,2'-Dihydroxy-6,7,8-Trimethoxyflavone
IUPAC Name	5-hydroxy-2-(2-hydroxyphenyl)-6,7,8-trimethoxychromen-4-one
Canonical SMILES	COc1c(OC)c(OC)c(c2c1oc(cc2=O)c1ccccc1O)O
Standard InCHI	InChI=1S/C18H16O7/c1-22-16-14(21)13-11(20)8-12(9-6-4-5-7-10(9)19)25-15(13)17(23-2)18(16)24-3/h4-8,19,21H,1-3H3
Standard InCHIKey	QCKBVAGWPBRRQJ-UHFFFAOYSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC3552
Formula: C15H12O7

Common Name	3,5,7,2'6'-Pentahydroxyflavanone
IUPAC Name	(2R,3R)-2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one
Canonical SMILES	Oc1cc2O[C@H](c3c(O)cccc3O)[C@H](C(=O)c2c(c1)O)O
Standard InCHI	InChI=1S/C15H12O7/c16-6-4-9(19)12-10(5-6)22-15(14(21)13(12)20)11-7(17)2-1-3-8(11)18/h1-5,14-19,21H/t14-,15+/m0/s1
Standard InCHIKey	NBQYBZYBTNQEQG-LSDHHAIUSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC3550
Formula: C17H14O7

Common Name	5,8,2'-Trihydroxy-6,7-Dimethoxyflavone
IUPAC Name	5,8-dihydroxy-2-(2-hydroxyphenyl)-6,7-dimethoxychromen-4-one
Canonical SMILES	COc1c(O)c2oc(cc(=O)c2c(c1OC)O)c1ccccc1O
Standard InCHI	InChI=1S/C17H14O7/c1-22-16-13(20)12-10(19)7-11(8-5-3-4-6-9(8)18)24-15(12)14(21)17(16)23-2/h3-7,18,20-21H,1-2H3
Standard InCHIKey	BYGRZBWUKYXRHL-UHFFFAOYSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC3549
Formula: C16H12O6

Common Name	5,8,2'-Trihydroxy-7-Methoxyflavone
IUPAC Name	5,8-dihydroxy-2-(2-hydroxyphenyl)-7-methoxychromen-4-one
Canonical SMILES	COc1cc(O)c2c(c1O)oc(cc2=O)c1ccccc1O
Standard InCHI	InChI=1S/C16H12O6/c1-21-13-7-11(19)14-10(18)6-12(22-16(14)15(13)20)8-4-2-3-5-9(8)17/h2-7,17,19-20H,1H3
Standard InCHIKey	NKSITEVSJGHWCO-UHFFFAOYSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC3527
Formula: C17H14O6

Common Name	5,8-Dihydroxy-6,7-Dimethoxyflavone
IUPAC Name	5,8-dihydroxy-6,7-dimethoxy-2-phenylchromen-4-one
Canonical SMILES	COc1c(O)c2oc(cc(=O)c2c(c1OC)O)c1ccccc1
Standard InCHI	InChI=1S/C17H14O6/c1-21-16-13(19)12-10(18)8-11(9-6-4-3-5-7-9)23-15(12)14(20)17(16)22-2/h3-8,19-20H,1-2H3
Standard InCHIKey	RXSYNUMMIWXLLC-UHFFFAOYSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC3452
Formula: C19H18O8

Common Name	5-Hydroxy-6,7,8,4'-Tetramethoxyflavone,Skullcapflavone I,Skullcapflavone II
IUPAC Name	5-hydroxy-2-(2-hydroxy-6-methoxyphenyl)-6,7,8-trimethoxychromen-4-one
Canonical SMILES	COc1cccc(c1c1cc(=O)c2c(o1)c(OC)c(c(c2O)OC)OC)O
Standard InCHI	InChI=1S/C19H18O8/c1-23-11-7-5-6-9(20)13(11)12-8-10(21)14-15(22)17(24-2)19(26-4)18(25-3)16(14)27-12/h5-8,20,22H,1-4H3
Standard InCHIKey	GMQFOKBGMKVUQZ-UHFFFAOYSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC2922
Formula: C10H10O2

Common Name	1-Phenyl-1,3-Butanedion
IUPAC Name	1-phenylbutane-1,3-dione
Canonical SMILES	O=C(c1ccccc1)CC(=O)C
Standard InCHI	InChI=1S/C10H10O2/c1-8(11)7-10(12)9-5-3-2-4-6-9/h2-6H,7H2,1H3
Standard InCHIKey	CVBUKMMMRLOKQR-UHFFFAOYSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC2886
Formula: C12H22O11

Common Name	Sucrose
IUPAC Name	(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Canonical SMILES	OC[C@H]1O[C@@]([C@H]([C@@H]1O)O)(CO)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
Standard InCHI	InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1
Standard InCHIKey	CZMRCDWAGMRECN-UGDNZRGBSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC24
Formula: C15H14O6

Common Name	(+)-Epicatechin
IUPAC Name	(2S,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Canonical SMILES	Oc1cc2O[C@@H](c3ccc(c(c3)O)O)[C@H](Cc2c(c1)O)O
Standard InCHI	InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m0/s1
Standard InCHIKey	PFTAWBLQPZVEMU-ZFWWWQNUSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC2324
Formula: C10H16

Common Name	Limonene
IUPAC Name	(4R)-1-methyl-4-prop-1-en-2-ylcyclohexene
Canonical SMILES	CC1=CC[C@@H](CC1)C(=C)C
Standard InCHI	InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1
Standard InCHIKey	XMGQYMWWDOXHJM-JTQLQIEISA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC2292
Formula: C16H12O6

Common Name	4'-Hydroxywogonin
IUPAC Name	5,7-dihydroxy-2-(4-hydroxyphenyl)-8-methoxychromen-4-one
Canonical SMILES	COc1c(O)cc(c2c1oc(cc2=O)c1ccc(cc1)O)O
Standard InCHI	InChI=1S/C16H12O6/c1-21-15-12(20)6-10(18)14-11(19)7-13(22-16(14)15)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3
Standard InCHIKey	OEZZJTAJYYSQKM-UHFFFAOYSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC2237
Formula: C16H12O5

Common Name	Wogonin
IUPAC Name	5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one
Canonical SMILES	COc1c(O)cc(c2c1oc(cc2=O)c1ccccc1)O
Standard InCHI	InChI=1S/C16H12O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-8,17,19H,1H3
Standard InCHIKey	XLTFNNCXVBYBSX-UHFFFAOYSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC2188
Formula: C17H14O7

Common Name	Tricin
IUPAC Name	5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one
Canonical SMILES	COc1cc(cc(c1O)OC)c1cc(=O)c2c(o1)cc(cc2O)O
Standard InCHI	InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)17(14)21)12-7-11(20)16-10(19)5-9(18)6-13(16)24-12/h3-7,18-19,21H,1-2H3
Standard InCHIKey	HRGUSFBJBOKSML-UHFFFAOYSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC2138
Formula: C16H12O4

Common Name	Techtochrysin
IUPAC Name	5-hydroxy-7-methoxy-2-phenylchromen-4-one
Canonical SMILES	COc1cc(O)c2c(c1)oc(cc2=O)c1ccccc1
Standard InCHI	InChI=1S/C16H12O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-9,17H,1H3
Standard InCHIKey	IRZVHDLBAYNPCT-UHFFFAOYSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC2055
Formula: C21H18O12

Common Name	Scutellarin
IUPAC Name	(2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Canonical SMILES	OC(=O)[C@H]1O[C@@H](Oc2cc3oc(cc(=O)c3c(c2O)O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)10-5-9(23)13-11(31-10)6-12(14(24)15(13)25)32-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-22,24-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1
Standard InCHIKey	DJSISFGPUUYILV-ZFORQUDYSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC2054
Formula: C15H10O6

Common Name	Scutellarein
IUPAC Name	5,6,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Canonical SMILES	Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(c(c2O)O)O
Standard InCHI	InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H
Standard InCHIKey	JVXZRQGOGOXCEC-UHFFFAOYSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC1965
Formula: C21H20O9

Common Name	Puerarin
IUPAC Name	7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
Canonical SMILES	OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)ccc2c1occ(c2=O)c1ccc(cc1)O
Standard InCHI	InChI=1S/C21H20O9/c22-7-14-17(26)18(27)19(28)21(30-14)15-13(24)6-5-11-16(25)12(8-29-20(11)15)9-1-3-10(23)4-2-9/h1-6,8,14,17-19,21-24,26-28H,7H2/t14-,17-,18+,19-,21+/m1/s1
Standard InCHIKey	HKEAFJYKMMKDOR-VPRICQMDSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC1901
Formula: C15H14O2

Common Name	Pinosylvin Methyl Ether
IUPAC Name	3-methoxy-5-[(E)-2-phenylethenyl]phenol
Canonical SMILES	COc1cc(/C=C/c2ccccc2)cc(c1)O
Standard InCHI	InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+
Standard InCHIKey	JVIXPWIEOVZVJC-BQYQJAHWSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC1798
Formula: C16H12O5

Common Name	Oroxylin A
IUPAC Name	5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one
Canonical SMILES	COc1c(O)cc2c(c1O)c(=O)cc(o2)c1ccccc1
Standard InCHI	InChI=1S/C16H12O5/c1-20-16-11(18)8-13-14(15(16)19)10(17)7-12(21-13)9-5-3-2-4-6-9/h2-8,18-19H,1H3
Standard InCHIKey	LKOJGSWUMISDOF-UHFFFAOYSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC1788
Formula: C18H34O2

Common Name	Oleic Acid
IUPAC Name	(Z)-octadec-9-enoic acid
Canonical SMILES	CCCCCCCC/C=CCCCCCCCC(=O)O
Standard InCHI	InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
Standard InCHIKey	ZQPPMHVWECSIRJ-KTKRTIGZSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC1495
Formula: C18H32O2

Common Name	Linoleic Acid
IUPAC Name	(9Z,12Z)-octadeca-9,12-dienoic acid
Canonical SMILES	CCCCC/C=CC/C=CCCCCCCCC(=O)O
Standard InCHI	InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
Standard InCHIKey	OYHQOLUKZRVURQ-HZJYTTRNSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC1173
Formula: C10H10O4

Common Name	Ferulic Acid
IUPAC Name	(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
Canonical SMILES	COc1cc(/C=C/C(=O)O)ccc1O
Standard InCHI	InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+
Standard InCHIKey	KSEBMYQBYZTDHS-HWKANZROSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Ingredient ID: TCMC1123
Formula: C15H12O6

Common Name	Eriodictyol
IUPAC Name	(2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
Canonical SMILES	Oc1cc2O[C@@H](CC(=O)c2c(c1)O)c1ccc(c(c1)O)O
Standard InCHI	InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1
Standard InCHIKey	SBHXYTNGIZCORC-ZDUSSCGKSA-N
Plant-Ingredient Association Reference

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
TCMC24	C15H14O6	(+)-Epicatechin	290.08	-2.494	2.45	0.406	1	5	110.38	6	3	21	0
TCMC417	C15H10O5	3',4',7-Trihydroxyflavon	270.05	-1.8845	2.56	1.996	1	3	86.99	4	3	20	0
TCMC519	C21H20O10	5,6-Dihydroxy-2-Phenyl-7-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxychromen-4-One	432.11	-3.6314	2.67	1.521	6	6	166.14	10	4	31	1
TCMC522	C15H10O5	5,7-Dihydroxy-2-(2-Hydroxyphenyl)Chromen-4-One	270.05	-1.8845	2.56	1.778	1	3	86.99	4	3	20	0
TCMC534	C16H14O5	5,7-Dihydroxy-6-Methoxy-2-Phenyl-2,3-Dihydrochromen-4-One	286.08	-1.4059	2.67	2.049	1	2	75.99	5	3	21	0
TCMC606	C16H12O5	Acacetin	284.07	-1.476	2.67	2.086	1	2	75.99	5	3	21	0
TCMC614	C29H36O15	Acetoside	624.21	-4.2978	3	-0.202	11	9	245.29	21	4	44	3
TCMC710	C15H10O5	Apigenin	270.05	-1.8845	2.56	1.567	1	3	86.99	4	3	20	0
TCMC755	C15H10O5	Baicalein	270.05	-1.8845	2.56	3.058	1	3	86.99	4	3	20	0
TCMC756	C21H18O11	Baicalin	446.08	-3.5292	2.56	1.678	7	6	183.21	10	4	32	1
TCMC841	C10H10O	Butenone	146.07	0.1072	2.45	4.166	1	0	17.07	3	1	11	0
TCMC897	C16H18O9	Chlorogenic Acid	354.1	-2.1962	2.23	-0.447	7	6	164.75	11	2	25	1
TCMC908	C15H10O4	Chrysin	254.06	-1.4242	2.67	3.163	1	2	66.76	3	3	19	0
TCMC937	C18H20O5	Combretastatin A4	316.13	-0.1997	2.89	3.375	0	1	57.15	11	2	23	0
TCMC1123	C15H12O6	Eriodictyol	288.06	-2.2747	2.45	0.363	1	4	107.22	5	3	21	0
TCMC1173	C10H10O4	Ferulic Acid	194.06	-0.3908	2.12	1.231	2	2	66.76	6	1	14	0
TCMC1495	C18H32O2	Linoleic Acid	280.24	-0.9485	3.22	7.865	2	1	37.3	16	0	20	2
TCMC1788	C18H34O2	Oleic Acid	282.26	-2.3427	3.22	8.192	2	1	37.3	17	0	20	2
TCMC1798	C16H12O5	Oroxylin A	284.07	-1.476	2.67	2.719	1	2	75.99	5	3	21	0
TCMC1901	C15H14O2	Pinosylvin Methyl Ether	226.1	-0.0443	2.89	5.973	0	1	29.46	5	2	17	1
TCMC1965	C21H20O9	Puerarin	416.11	-3.823	2.78	0.4	6	6	156.91	9	4	30	1
TCMC2054	C15H10O6	Scutellarein	286.05	-2.3448	2.45	1.462	1	4	107.22	5	3	21	0
TCMC2055	C21H18O12	Scutellarin	462.08	-3.9895	2.45	0.082	7	7	203.44	11	4	33	1
TCMC2138	C16H12O4	Techtochrysin	268.07	-1.0157	2.78	3.682	1	1	55.76	4	3	20	0
TCMC2188	C17H14O7	Tricin	330.07	-1.9881	2.56	0.679	1	3	105.45	8	3	24	0
TCMC2237	C16H12O5	Wogonin	284.07	-1.476	2.67	2.719	1	2	75.99	5	3	21	0
TCMC2292	C16H12O6	4'-Hydroxywogonin	300.06	-1.9363	2.56	1.123	1	3	96.22	6	3	22	0
TCMC2324	C10H16	Limonene	136.13	2.1424	2.56	3.729	0	0	0	3	1	10	0
TCMC2886	C12H22O11	Sucrose	342.1162115	-4.3105	1.57	-3.277	11	8	189.53	5	2	23	2
TCMC2922	C10H10O2	1-Phenyl-1,3-Butanedion	162.0680796	-0.4829	2.34	2.977	2	0	34.14	3	1	12	0
TCMC3452	C19H18O8	5-Hydroxy-6,7,8,4'-Tetramethoxyflavone,Skullcapflavone I,Skullcapflavone II	374.1001675	-1.2644	2.67	0.313	1	2	94.45	5	3	27	0
TCMC3527	C17H14O6	5,8-Dihydroxy-6,7-Dimethoxyflavone	314.0790382	-1.1608	2.67	1.834	1	2	75.99	3	3	23	0
TCMC3549	C16H12O6	5,8,2'-Trihydroxy-7-Methoxyflavone	300.0633881	-1.7439	2.56	1.25	5	3	86.99	2	3	22	0
TCMC3550	C17H14O7	5,8,2'-Trihydroxy-6,7-Dimethoxyflavone	330.0739528	-1.6211	2.56	0.449	1	3	96.22	3	3	24	0
TCMC3552	C15H12O7	3,5,7,2'6'-Pentahydroxyflavanone	304.0583027	-2.9269	2.34	-0.401	2	5	127.45	1	3	22	0
TCMC3560	C18H16O7	5,2'-Dihydroxy-6,7,8-Trimethoxyflavone	344.0896029	-1.3872	2.67	1.325	6	2	85.22	4	3	25	0
TCMC3700	C17H14O5	5-Hydroxy-7,8-Dimethoxyflavone	298.0841235	-0.8751	2.78	3.154	5	1	55.76	3	3	22	0
TCMC3966	C29H50O	Sitosterol,Β-Sitosterol	414.3861662	1.3	4.54	11.595	1	1	20.23	6	4	30	1
TCMC3975	C16H12O5	7-Methoxybaicalein	284.0684735	-1.109	2.67	2.707	1	2	66.76	2	3	21	0
TCMC4257	C22H20O11	Wogonoside	459.0927364	-3.6061	2.67	0.774	11	4	165.81	5	4	33	1
TCMC4275	C17H14O8	5,7,2',5'-Tetrahydroxy-8,6'-Dimethoxy Flavone	346.0688674	-2.0814	2.45	-0.725	1	4	116.45	3	3	25	0
TCMC4324	C29H48O	Stigmasterol	412.3705162	1.2566	4.54	11.071	1	1	20.23	5	4	30	1
TCMC4352	C15H10O6	Isoscutellarein	286.047738	-1.9778	2.45	0.592	1	4	97.99	1	3	21	0
TCMC4355	C15H10O5	Norwogonin	270.0528234	-1.5175	2.56	2.188	1	3	77.76	1	3	20	0
TCMC4408	C28H48O	Campesterol,M-Cresol	400.3705162	1.9762	4.43	11.026	1	1	20.23	5	4	29	1
TCMC4516	C19H18O8	5,7-Dihydroxy-6,8,2',3'-Tetramethoxyflavone	374.1001675	-1.2644	2.67	0.313	1	2	94.45	5	3	27	0
TCMC4631	C31H40O15	2-(3-Hydroxy-4-Methoxyphenyl)-Ethyl-1-O-Α-L-Rhamnosyl-(1→3)-Β-D-(4-Feruloyl)-Glucoside	652.2367206	-3.4808	3.22	-0.022	11	7	223.29	13	4	46	3
TCMC4729	C22H22O9	8-Methoxy-5-O-Glucoside Flavone	430.1263823	-2.5702	2.89	2.49	9	4	125.68	5	4	31	0
TCMC4825	C17H14O6	Skullcapflavone I	314.0790382	-1.1608	2.67	1.412	1	2	75.99	3	3	23	0
TCMC4829	C15H10O7	3,5,7,2',6'-Pentahydroxy Flavone	302.0426527	-2.6088	2.34	0.671	5	5	118.22	1	3	22	0
TCMC4857	C16H12O6	Scutevulin	300.0633881	-1.7439	2.56	1.25	5	3	86.99	2	3	22	0
TCMC4883	C15H10O6	5,7,2',3'-Tetrahydroxyflavone	286.047738	-2.1524	2.45	0.616	4	4	97.99	1	3	21	0
TCMC4884	C15H10O6	5,7,2',6'-Tetrahydroxyflavone	286.047738	-2.1524	2.45	0.187	4	4	97.99	1	3	21	0
TCMC4885	C16H14O6	2,6,2',4'-Tetrahydroxy-6’-Methoxychalcone	302.0790382	-1.7957	2.56	1.146	1	4	107.22	4	2	22	0
TCMC4903	C17H14O7	5,2',6'-Trihydroxy-7,8-Dimethoxyflavone	330.0739528	-1.6211	2.56	0.238	1	3	96.22	3	3	24	0
TCMC4904	C17H14O7	5,7,2'-Trihydroxy-8,6'-Dimethoxyflavone	330.0739528	-1.6211	2.56	0.238	1	3	96.22	3	3	24	0
TCMC4906	C16H12O6	5,7,2'-Trihydroxy-6-Methoxyflavone	300.0633881	-1.7439	2.56	0.917	5	3	86.99	2	3	22	0
TCMC5009	C22H22O10	Wogonin 5-Β-D-Glucoside	446.1212969	-3.0305	2.78	1.527	10	5	145.91	5	4	32	0
TCMC6194	C22H20O11	Oroxylin A 7-O-Glucuronide	459.0927364	-3.6061	2.67	0.441	11	4	165.81	5	4	33	1
TCMC6548	C18H16O8	5,2',5'-Trihydroxy-6,7,8-Trimethoxyflavone	360.0845175	-1.8475	2.56	0.151	6	3	105.45	4	3	26	0
TCMC6772	C16H14O6	5,7,4'-Trihydroxy-6-Methoxyflavanone	302.0790382	-1.8662	2.56	0.453	1	3	96.22	2	3	22	0
TCMC7299	C23H24O13	Viscidulin Iii-6'-O-Β-D-Glucopyranoside	508.1216908	-3.8283	2.56	-1.833	6	7	195.6	6	4	36	1
TCMC7360	C16H14O6	7,2'6'-Trihydroxy-5-Methoxyflavanone	302.0790382	-1.8662	2.56	0.453	1	3	96.22	2	3	22	0

Download Data

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Data Section	Select to Download
1. General Information & structure data (InChi, InChiKey, SMILES)
2. Physico-chemical Properties

TCM Herb: 黄芩

Herb ID

Latin Name

English Name

Chinese Pinyin Name

Chinese Name

Barcode ID

Barcode Source

Ingredient Structrual Cards

Ingredient ID: TCMC937

Distribution of the ingredient across plants

Ingredient ID: TCMC908

Distribution of the ingredient across plants

Ingredient ID: TCMC897

Distribution of the ingredient across plants

Ingredient ID: TCMC841

Distribution of the ingredient across plants

Ingredient ID: TCMC756

Distribution of the ingredient across plants

Ingredient ID: TCMC755

Distribution of the ingredient across plants

Ingredient ID: TCMC7360

Distribution of the ingredient across plants

Ingredient ID: TCMC7299

Distribution of the ingredient across plants

Ingredient ID: TCMC710

Distribution of the ingredient across plants

Ingredient ID: TCMC6772

Distribution of the ingredient across plants

Ingredient ID: TCMC6548

Distribution of the ingredient across plants

Ingredient ID: TCMC6194

Distribution of the ingredient across plants

Ingredient ID: TCMC614

Distribution of the ingredient across plants

Ingredient ID: TCMC606

Distribution of the ingredient across plants

Ingredient ID: TCMC534

Distribution of the ingredient across plants

Ingredient ID: TCMC522

Distribution of the ingredient across plants

Ingredient ID: TCMC519

Distribution of the ingredient across plants

Ingredient ID: TCMC5009

Distribution of the ingredient across plants

Ingredient ID: TCMC4906

Distribution of the ingredient across plants

Ingredient ID: TCMC4904

Distribution of the ingredient across plants

Ingredient ID: TCMC4903

Distribution of the ingredient across plants

Ingredient ID: TCMC4885

Distribution of the ingredient across plants

Ingredient ID: TCMC4884

Distribution of the ingredient across plants

Ingredient ID: TCMC4883

Distribution of the ingredient across plants

Ingredient ID: TCMC4857

Distribution of the ingredient across plants

Ingredient ID: TCMC4829

Distribution of the ingredient across plants

Ingredient ID: TCMC4825

Distribution of the ingredient across plants

Ingredient ID: TCMC4729

Distribution of the ingredient across plants

Ingredient ID: TCMC4631

Distribution of the ingredient across plants

Ingredient ID: TCMC4516

Distribution of the ingredient across plants

Ingredient ID: TCMC4408

Distribution of the ingredient across plants

Ingredient ID: TCMC4355

Distribution of the ingredient across plants

Ingredient ID: TCMC4352

Distribution of the ingredient across plants

Ingredient ID: TCMC4324

Distribution of the ingredient across plants

Ingredient ID: TCMC4275

Distribution of the ingredient across plants

Ingredient ID: TCMC4257