TCM-ID Component

Description of the Component

Component ID	TCMH2217
Latin Name	NA
English Name	NA
Chinese Pinyin Name	Qian Cao
中文名	茜草
TCM Properties	Cold,Bitter
TCM Meridians	Liver
Therapeutic Class English	Bleeding control
Therapeutic Class Chinese	止血
Functions	remove heat from blood and arrest bleeding, eliminate blood stasis, and stimulate menstrual discharge
Toxicity	NA
Geo-authentic habitats (道地产区)	Henan Province
Reference	Chinese Pharmacopoeia (2015)
Barcode ID
Barcode Source

TCM Prescriptions with the Component

Prescription ID	Prescription English Name	Prescription Chinese Name
TCMF2963	An Yang Hu Gu Yao Wine	安阳虎骨药酒
TCMF3120	Bai Bu Zeng Li Pills	百补增力丸
TCMF3501	Bao Gu Wine	豹骨酒
TCMFx3701	Bi Yuan Pills	鼻渊丸
TCMFx1181	Bi Yuan Pills	鼻渊丸
TCMFx3694	Bi Yuan Syrup	鼻渊糖浆
TCMFx1182	Bi Yuan Tablet	鼻渊片
TCMFx3680	Bi Yuan Tablets	鼻渊片
TCMFx1997	Bleeding Control Decoction
TCMFx3281	Chu Shi Bai Dai Pills	除湿白带丸
TCMFx888	Chu Shi Bai Dai Pills	除湿白带丸
TCMFx3786	Da Li Yao Wine	大力药酒
TCMFx1727	Discharge Clearing Decoction	清带汤
TCMF3514	Feng Shi Yao Jiu Liao	风湿药酒料
TCMF7239	Fu Ke Zhi Yang Capsules	妇科止痒胶囊
TCMFx853	Gong Ning Granules	宫宁颗粒
TCMF2372	Heat Clearing Period Decoction	清热固冲汤
TCMF2297	HLC Herb Fries
TCMF4497	Hong Mao Yao Wine	鸿茅药酒
TCMFx4695	Hu Gu Zhui Feng Wine	虎骨追风酒
TCMFx4940	Hua Zhi Tablets	化痔片
TCMF4394	Huo Xue Shu Jin Ding	活血舒筋酊
TCMF4557	Jiu Zhi Xi Xian Cao Yao Wine	九制豨莶草药酒
TCMF7192	Kun Ning Granules	坤宁颗粒
TCMFx4869	Luo Fu Shan Feng Shi Gao Yao	罗浮山风湿膏药
TCMFx4511	Pi Fu Bing Xue Du Pills	皮肤病血毒丸
TCMFx2520	Pigment Control Decoction	紫癜汤
TCMF2055	Pigment Desolving Decoction	消斑汤
TCMF2328	Plus and Minus Pleasure Powder	加减消遥散
TCMF1574	Qian Yin Syrup
TCMFx5006	Qing Yu Bi Wen Dan	庆余辟瘟丹
TCMFx490	Qing Yu Pi Wen Dan	庆余辟瘟丹
TCMF5649	Ru He Nei Xiao Oral Liquid	乳核内消液
TCMF5558	Shen Yan Ling Capsules	肾炎灵胶囊
TCMFx5935	Shi Hui Pills	十灰丸
TCMFx5926	Shi Hui Powder	十灰散
TCMFx5605	Shu Feng Zai Zao Pills	疏风再造丸
TCMFx2420	Ten Ashes Powder	十灰散
TCMF2208	Vaginal Bleeding Decoction	固冲汤
TCMF6564	Yuan Du Han Bi Oral Liquid	鸢都寒痹液
TCMF6557	Yuan Du Han Bi Yao Jiu Liao	鸢都寒痹药酒料
TCMFx6685	Yun Nan She Yao	云南蛇药
TCMFx873	Zhi Kang Capsule	致康胶囊

Targeted Human Proteins by the Ingredient of Component

Target ID	Gene Symbol	Target Name	Target Class	Uniprot ID

Targeted Pathogenic Microbes by the Ingredient of Component

Target ID	Target Name

Ingredient Structrues

Ingredient ID: TCMC7357
Formula: C16H10O6

Common Name	1-Hydroxy-2-Carboxy-3-Methoxyanthraquinone
IUPAC Name	1-hydroxy-3-methoxy-9,10-dioxoanthracene-2-carboxylic acid
Canonical SMILES	COc1cc2C(=O)c3ccccc3C(=O)c2c(c1C(=O)[O-])O
Standard InCHI	InChI=1S/C16H10O6/c1-22-10-6-9-11(15(19)12(10)16(20)21)14(18)8-5-3-2-4-7(8)13(9)17/h2-6,19H,1H3,(H,20,21)/p-1
Standard InCHIKey	VVXSWOYLOUBWNW-UHFFFAOYSA-M
External Identifiers	ChEMBL [N/A]; PubChem [129670276];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2217	NA	Qian Cao	茜草

Ingredient ID: TCMC6985
Formula: C30H48O4

Common Name	Rubifolic Acid
IUPAC Name	(1R,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2-(hydroxymethyl)-1,6a,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
Canonical SMILES	OC[C@@H]1CC[C@]2([C@@H]([C@H]1C)C1=CC[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C(=O)[O-]
Standard InCHI	InChI=1S/C30H48O4/c1-18-19(17-31)9-14-30(25(33)34)16-15-28(5)20(24(18)30)7-8-22-27(4)12-11-23(32)26(2,3)21(27)10-13-29(22,28)6/h7,18-19,21-24,31-32H,8-17H2,1-6H3,(H,33,34)/p-1/t18-,19-,21-,22+,23-,24-,27-,28+,29+,30-/m0/s1
Standard InCHIKey	UBLKZBSRTSLNTC-RRHGHHQTSA-M
External Identifiers	ChEMBL [N/A]; PubChem [91895456];
Reference of Component-Ingredient Pair	20209910

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2217	NA	Qian Cao	茜草

Ingredient ID: TCMC6869
Formula: C29H32O15

Common Name	2-Methyl-1,3,6-Trihydroxy-9,10-Anthraquinone 3-O-(Α-L-Rhamnopyranosyl-(1→2)(6'-Acetyl)-Β-D-Glucopyranoside)
IUPAC Name	[(2R,3S,4S,5R,6S)-6-(4,7-dihydroxy-3-methyl-9,10-dioxoanthracen-2-yl)oxy-3,4-dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl acetate
Canonical SMILES	CC(=O)OC[C@H]1O[C@@H](Oc2cc3C(=O)c4cc(O)ccc4C(=O)c3c(c2C)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O
Standard InCHI	InChI=1S/C29H32O15/c1-9-16(7-15-18(19(9)32)22(35)13-5-4-12(31)6-14(13)21(15)34)42-29-27(25(38)23(36)17(43-29)8-40-11(3)30)44-28-26(39)24(37)20(33)10(2)41-28/h4-7,10,17,20,23-29,31-33,36-39H,8H2,1-3H3/t10-,17+,20-,23+,24+,25-,26+,27+,28-,29+/m0/s1
Standard InCHIKey	MYMGMMVFIFXMSB-TUABHHCTSA-N
External Identifiers	ChEMBL [N/A]; PubChem [70698136];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2217	NA	Qian Cao	茜草

Ingredient ID: TCMC6868
Formula: C29H32O15

Common Name	1,3,6-Trihydroxy-2-Methylanthraquinone-3-O-Α-Rhamnosyl(1→2)-3'-O-Acetylglucoside
IUPAC Name	[(2S,3R,4S,5R,6R)-2-(4,7-dihydroxy-3-methyl-9,10-dioxoanthracen-2-yl)oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl] acetate
Canonical SMILES	OC[C@H]1O[C@@H](Oc2cc3C(=O)c4cc(O)ccc4C(=O)c3c(c2C)O)[C@@H]([C@H]([C@@H]1O)OC(=O)C)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O
Standard InCHI	InChI=1S/C29H32O15/c1-9-16(7-15-18(19(9)33)22(36)13-5-4-12(32)6-14(13)21(15)35)42-29-27(26(41-11(3)31)23(37)17(8-30)43-29)44-28-25(39)24(38)20(34)10(2)40-28/h4-7,10,17,20,23-30,32-34,37-39H,8H2,1-3H3/t10-,17+,20-,23+,24+,25+,26-,27+,28-,29+/m0/s1
Standard InCHIKey	VUDKIFFLIMSULN-AKMBVNFTSA-N
External Identifiers	ChEMBL [N/A]; PubChem [70698079];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2217	NA	Qian Cao	茜草

Ingredient ID: TCMC6836
Formula: C27H30O14

Common Name	2-Methyl-1,3,6-Trihydroxyanthraquinone 3-O-Α-L-Rhamnosyl-(1→2)- Β-D-Glucoside
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-1,6-dihydroxy-2-methylanthracene-9,10-dione
Canonical SMILES	OC[C@H]1O[C@@H](Oc2cc3C(=O)c4cc(O)ccc4C(=O)c3c(c2C)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O
Standard InCHI	InChI=1S/C27H30O14/c1-8-14(6-13-16(17(8)30)20(33)11-4-3-10(29)5-12(11)19(13)32)39-27-25(23(36)21(34)15(7-28)40-27)41-26-24(37)22(35)18(31)9(2)38-26/h3-6,9,15,18,21-31,34-37H,7H2,1-2H3/t9-,15+,18-,21+,22+,23-,24+,25+,26-,27+/m0/s1
Standard InCHIKey	UMBHTGLJTANWCB-ICXAYODDSA-N
External Identifiers	ChEMBL [N/A]; PubChem [57335470];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2217	NA	Qian Cao	茜草

Ingredient ID: TCMC6716
Formula: C20H18O9

Common Name	Xanthopurpurin-3-O-Β-D-Glucoside
IUPAC Name	1-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione
Canonical SMILES	OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)C(=O)c2c(C3=O)cccc2)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C20H18O9/c21-7-13-17(25)18(26)19(27)20(29-13)28-8-5-11-14(12(22)6-8)16(24)10-4-2-1-3-9(10)15(11)23/h1-6,13,17-22,25-27H,7H2/t13-,17-,18+,19-,20-/m1/s1
Standard InCHIKey	MVYMTRGKWWWUAR-DBTZYBQZSA-N
External Identifiers	ChEMBL [CHEMBL483826]; PubChem [44575697];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2217	NA	Qian Cao	茜草

Ingredient ID: TCMC6534
Formula: C32H52O5

Common Name	Rubiarbonol D
IUPAC Name	[(1R,3S,3aS,5aS,5bS,6S,7aR,9R,10R,11aS,13aR,13bS)-1,6,10-trihydroxy-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysen-9-yl] acetate
Canonical SMILES	CC(=O)O[C@H]1[C@H](O)C[C@]2([C@H](C1(C)C)C[C@@H]([C@@H]1C2=CC[C@]2([C@@]1(C)CC[C@@]1([C@@H]2[C@H](O)C[C@H]1C(C)C)C)C)O)C
Standard InCHI	InChI=1S/C32H52O5/c1-17(2)20-14-22(35)26-29(20,6)12-13-31(8)25-19(10-11-32(26,31)9)30(7)16-23(36)27(37-18(3)33)28(4,5)24(30)15-21(25)34/h10,17,20-27,34-36H,11-16H2,1-9H3/t20-,21-,22+,23+,24-,25-,26-,27-,29-,30+,31-,32+/m0/s1
Standard InCHIKey	VSDLHCOKEDUYJK-XNYSYNOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [21672546];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2217	NA	Qian Cao	茜草

Ingredient ID: TCMC6432
Formula: C32H52O5

Common Name	Rubiprasin A
IUPAC Name	[(3S,4aR,6aR,6aS,6bR,7S,8aR,12aR,14aR,14bR)-6a,7-dihydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-13-oxo-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] acetate
Canonical SMILES	CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC(=O)[C@]2([C@@]1(C)[C@@H](O)C[C@@]1([C@H]2CC(C)(C)CC1)C)O)C)C
Standard InCHI	InChI=1S/C32H52O5/c1-19(33)37-25-11-12-29(7)20(27(25,4)5)10-13-30(8)21(29)16-23(34)32(36)22-17-26(2,3)14-15-28(22,6)18-24(35)31(30,32)9/h20-22,24-25,35-36H,10-18H2,1-9H3/t20-,21+,22+,24-,25-,28+,29-,30+,31-,32+/m0/s1
Standard InCHIKey	KHSRLAHIQUDPFJ-VWPWYMCRSA-N
External Identifiers	ChEMBL [N/A]; PubChem [21594201];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2217	NA	Qian Cao	茜草

Ingredient ID: TCMC6426
Formula: C32H52O4

Common Name	Rubiprasin B
IUPAC Name	[(3S,4aR,6aR,6aS,6bS,8aR,12aR,14aR,14bR)-6a-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-13-oxo-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] acetate
Canonical SMILES	CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC(=O)[C@]2([C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C)O)C)C
Standard InCHI	InChI=1S/C32H52O4/c1-20(33)36-25-11-12-29(7)21(27(25,4)5)10-13-30(8)22(29)18-24(34)32(35)23-19-26(2,3)14-15-28(23,6)16-17-31(30,32)9/h21-23,25,35H,10-19H2,1-9H3/t21-,22+,23+,25-,28+,29-,30+,31-,32+/m0/s1
Standard InCHIKey	GWMSDMQWKMSCJR-WWPUQACTSA-N
External Identifiers	ChEMBL [N/A]; PubChem [21594133];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2217	NA	Qian Cao	茜草

Ingredient ID: TCMC6407
Formula: C30H50O3

Common Name	Rubiatriol
IUPAC Name	(1R,3R,3aR,5aR,5bR,6R,7aR,9S,11aS,13aS,13bR)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysene-1,6,9-triol
Canonical SMILES	O[C@@H]1C[C@@H]2[C@](C3=CC[C@@]4([C@]([C@@H]13)(C)CC[C@]1([C@H]4[C@H](O)C[C@@H]1C(C)C)C)C)(C)CC[C@@H](C2(C)C)O
Standard InCHI	InChI=1S/C30H50O3/c1-17(2)19-15-21(32)25-28(19,6)13-14-29(7)24-18(9-12-30(25,29)8)27(5)11-10-23(33)26(3,4)22(27)16-20(24)31/h9,17,19-25,31-33H,10-16H2,1-8H3/t19-,20-,21-,22+,23+,24-,25-,27-,28-,29-,30+/m1/s1
Standard InCHIKey	PZBGHZIQCYOWLL-GJOOHKEJSA-N
External Identifiers	ChEMBL [N/A]; PubChem [21582929];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2217	NA	Qian Cao	茜草

Ingredient ID: TCMC6284
Formula: C43H50N6O10

Common Name	Rubia Akane Ra-Ix
IUPAC Name	(1S,4R,10S,13S,16S,19S)-27-methoxy-13-[(4-methoxyphenyl)methyl]-4,12,16,18,32-pentamethyl-25-oxa-3,6,12,15,18,32-hexazapentacyclo[17.12.2.221,24.126,30.06,10]hexatriaconta-21,23,26,28,30(34),35-hexaene-2,5,7,11,14,17,33-heptone
Canonical SMILES	COc1ccc(cc1)C[C@H]1C(=O)N[C@@H](C)C(=O)N(C)[C@H]2Cc3ccc(cc3)Oc3cc(C[C@H](N(C2=O)C)C(=O)N[C@@H](C(=O)N2[C@H](C(=O)N1C)CCC2=O)C)ccc3OC
Standard InCHI	InChI=1S/C43H50N6O10/c1-24-40(53)48(5)34-21-27-10-15-30(16-11-27)59-36-23-28(12-18-35(36)58-7)22-33(47(4)43(34)56)39(52)45-25(2)41(54)49-31(17-19-37(49)50)42(55)46(3)32(38(51)44-24)20-26-8-13-29(57-6)14-9-26/h8-16,18,23-25,31-34H,17,19-22H2,1-7H3,(H,44,51)(H,45,52)/t24-,25+,31-,32-,33-,34-/m0/s1
Standard InCHIKey	LNQKRCFXJIYNFP-QFPCDYTJSA-N
External Identifiers	ChEMBL [CHEMBL562775]; PubChem [15735834];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2217	NA	Qian Cao	茜草

Ingredient ID: TCMC6222
Formula: C42H50N6O11

Common Name	Rubia Akane Ra-Xi
IUPAC Name	3-[(1S,4R,7S,10S,13S,16S)-24-hydroxy-10-[(4-methoxyphenyl)methyl]-4,9,13,15,29-pentamethyl-2,5,8,11,14,30-hexaoxo-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaen-7-yl]propanoic acid
Canonical SMILES	COc1ccc(cc1)C[C@H]1C(=O)N[C@@H](C)C(=O)N(C)[C@H]2Cc3ccc(cc3)Oc3cc(C[C@H](N(C2=O)C)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1C)CCC(=O)[O-])C)ccc3O
Standard InCHI	InChI=1S/C42H50N6O11/c1-23-37(52)45-30(16-18-36(50)51)41(56)46(3)31(19-25-7-12-28(58-6)13-8-25)39(54)44-24(2)40(55)48(5)33-20-26-9-14-29(15-10-26)59-35-22-27(11-17-34(35)49)21-32(38(53)43-23)47(4)42(33)57/h7-15,17,22-24,30-33,49H,16,18-21H2,1-6H3,(H,43,53)(H,44,54)(H,45,52)(H,50,51)/p-1/t23-,24+,30+,31+,32+,33+/m1/s1
Standard InCHIKey	JYSZOVOBXGDGIQ-YQPHQQCRSA-M
External Identifiers	ChEMBL [N/A]; PubChem [14999349];
Reference of Component-Ingredient Pair	1394660

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2217	NA	Qian Cao	茜草

Ingredient ID: TCMC6204
Formula: C31H24O10

Common Name	Rubioncolin B
IUPAC Name	dimethyl (1S,5R,17S)-8,20-dihydroxy-2,2-dimethyl-4-oxo-3,16,28-trioxaheptacyclo[15.11.0.01,5.06,15.09,14.018,27.021,26]octacosa-6(15),7,9,11,13,18(27),19,21,23,25-decaene-7,19-dicarboxylate
Canonical SMILES	COC(=O)c1c(O)c2ccccc2c2c1[C@@H]1Oc3c4ccccc4c(c(c3[C@@H]3[C@@]1(O2)C(C)(C)OC3=O)C(=O)OC)O
Standard InCHI	InChI=1S/C31H24O10/c1-30(2)31-21(29(36)41-30)17-18(27(34)37-3)22(32)13-9-5-7-11-15(13)24(17)39-26(31)20-19(28(35)38-4)23(33)14-10-6-8-12-16(14)25(20)40-31/h5-12,21,26,32-33H,1-4H3/t21-,26-,31-/m0/s1
Standard InCHIKey	XKMQEXKAMXHKQU-JPYDJGNCSA-N
External Identifiers	ChEMBL [N/A]; PubChem [14777446];
Reference of Component-Ingredient Pair	18582058

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2217	NA	Qian Cao	茜草

Ingredient ID: TCMC6155
Formula: C41H50N6O10

Common Name	Rubia Akane Ra-Iii
IUPAC Name	(1S,4R,7S,10S,13S,16S)-7-(hydroxymethyl)-24-methoxy-10-[(4-methoxyphenyl)methyl]-4,9,13,15,29-pentamethyl-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaene-2,5,8,11,14,30-hexone
Canonical SMILES	COc1ccc(cc1)C[C@H]1C(=O)N[C@@H](C)C(=O)N(C)[C@H]2Cc3ccc(cc3)Oc3cc(C[C@H](N(C2=O)C)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1C)CO)C)ccc3OC
Standard InCHI	InChI=1S/C41H50N6O10/c1-23-36(49)44-30(22-48)40(53)45(3)31(18-25-8-13-28(55-6)14-9-25)38(51)43-24(2)39(52)47(5)33-19-26-10-15-29(16-11-26)57-35-21-27(12-17-34(35)56-7)20-32(37(50)42-23)46(4)41(33)54/h8-17,21,23-24,30-33,48H,18-20,22H2,1-7H3,(H,42,50)(H,43,51)(H,44,49)/t23-,24+,30+,31+,32+,33+/m1/s1
Standard InCHIKey	WASXNYRXXQONPG-YQPHQQCRSA-N
External Identifiers	ChEMBL [CHEMBL539463]; PubChem [14390141];
Reference of Component-Ingredient Pair	26913941

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2217	NA	Qian Cao	茜草

Ingredient ID: TCMC6154
Formula: C40H48N6O10

Common Name	Rubia Akane Ra-I
IUPAC Name	(1S,4R,7S,10S,13S,16S)-24-hydroxy-7-(hydroxymethyl)-10-[(4-methoxyphenyl)methyl]-4,9,13,15,29-pentamethyl-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaene-2,5,8,11,14,30-hexone
Canonical SMILES	COc1ccc(cc1)C[C@H]1C(=O)N[C@@H](C)C(=O)N(C)[C@H]2Cc3ccc(cc3)Oc3cc(C[C@H](N(C2=O)C)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1C)CO)C)ccc3O
Standard InCHI	InChI=1S/C40H48N6O10/c1-22-35(49)43-29(21-47)39(53)44(3)30(17-24-7-12-27(55-6)13-8-24)37(51)42-23(2)38(52)46(5)32-18-25-9-14-28(15-10-25)56-34-20-26(11-16-33(34)48)19-31(36(50)41-22)45(4)40(32)54/h7-16,20,22-23,29-32,47-48H,17-19,21H2,1-6H3,(H,41,50)(H,42,51)(H,43,49)/t22-,23+,29+,30+,31+,32+/m1/s1
Standard InCHIKey	JZVJCTVXALSTOA-XMPIZRASSA-N
External Identifiers	ChEMBL [CHEMBL1288988]; PubChem [14390137];
Reference of Component-Ingredient Pair	US9452215

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2217	NA	Qian Cao	茜草

Ingredient ID: TCMC5997
Formula: C40H48N6O9

Common Name	Rubia Akane Ra-V
IUPAC Name	(1S,4R,7S,10S,13S,16S)-24-hydroxy-10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,29-hexamethyl-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaene-2,5,8,11,14,30-hexone
Canonical SMILES	COc1ccc(cc1)C[C@H]1C(=O)N[C@@H](C)C(=O)N(C)[C@H]2Cc3ccc(cc3)Oc3cc(C[C@H](N(C2=O)C)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1C)C)C)ccc3O
Standard InCHI	InChI=1S/C40H48N6O9/c1-22-35(48)42-23(2)38(51)44(4)30(18-25-8-13-28(54-7)14-9-25)37(50)43-24(3)39(52)46(6)32-19-26-10-15-29(16-11-26)55-34-21-27(12-17-33(34)47)20-31(36(49)41-22)45(5)40(32)53/h8-17,21-24,30-32,47H,18-20H2,1-7H3,(H,41,49)(H,42,48)(H,43,50)/t22-,23+,24+,30+,31+,32+/m1/s1
Standard InCHIKey	VXVGFMUNENQGFW-LZQLRFBTSA-N
External Identifiers	ChEMBL [CHEMBL404613]; PubChem [13361282];
Reference of Component-Ingredient Pair	22645749

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2217	NA	Qian Cao	茜草

Ingredient ID: TCMC5780
Formula: C32H50O4

Common Name	3Β-Acetoxyolean-12-En-28-Oic Acid
IUPAC Name	(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bR)-10-acetyloxy-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
Canonical SMILES	CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@@H]2CC(C)(C)CC1)C(=O)[O-])C)C
Standard InCHI	InChI=1S/C32H50O4/c1-20(33)36-25-12-13-29(6)23(28(25,4)5)11-14-31(8)24(29)10-9-21-22-19-27(2,3)15-17-32(22,26(34)35)18-16-30(21,31)7/h9,22-25H,10-19H2,1-8H3,(H,34,35)/p-1/t22-,23+,24-,25+,29+,30-,31-,32+/m1/s1
Standard InCHIKey	RIXNFYQZWDGQAE-UUPNAFDOSA-M
External Identifiers	ChEMBL [N/A]; PubChem [11762805];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH109	Pulsatilla chinensis	Bai Tou Weng	白头翁
TCMH1597	Ligustrum lucidum	Nv Zhen Zi	女贞子
TCMH2217	NA	Qian Cao	茜草

Ingredient ID: TCMC5532
Formula: C40H48N6O9

Common Name	Rubia Akane Ra-Ii
IUPAC Name	(1S,4R,7S,10S,13S,16S)-10-[(4-hydroxyphenyl)methyl]-24-methoxy-4,7,9,13,15,29-hexamethyl-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaene-2,5,8,11,14,30-hexone
Canonical SMILES	COc1ccc2cc1Oc1ccc(cc1)C[C@H]1C(=O)N([C@@H](C2)C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](C(=O)N[C@H](C(=O)N1C)C)Cc1ccc(cc1)O)C
Standard InCHI	InChI=1S/C40H48N6O9/c1-22-35(48)42-23(2)38(51)44(4)30(18-25-8-13-28(47)14-9-25)37(50)43-24(3)39(52)46(6)32-19-26-10-15-29(16-11-26)55-34-21-27(12-17-33(34)54-7)20-31(36(49)41-22)45(5)40(32)53/h8-17,21-24,30-32,47H,18-20H2,1-7H3,(H,41,49)(H,42,48)(H,43,50)/t22-,23+,24+,30+,31+,32+/m1/s1
Standard InCHIKey	KXVWPJGBRWNKFP-LZQLRFBTSA-N
External Identifiers	ChEMBL [N/A]; PubChem [10919757];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2217	NA	Qian Cao	茜草

Ingredient ID: TCMC5374
Formula: C46H58N6O14

Common Name	Rubia Akane Ra-Xii
IUPAC Name	(1S,4R,7S,10S,13S,16S)-10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,29-hexamethyl-24-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaene-2,5,8,11,14,30-hexone
Canonical SMILES	OC[C@H]1O[C@@H](Oc2ccc3cc2Oc2ccc(cc2)C[C@H]2C(=O)N([C@@H](C3)C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](C(=O)N[C@H](C(=O)N2C)C)Cc2ccc(cc2)OC)C)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C46H58N6O14/c1-23-40(57)48-24(2)43(60)50(4)31(18-26-8-13-29(63-7)14-9-26)42(59)49-25(3)44(61)52(6)33-19-27-10-15-30(16-11-27)64-35-21-28(20-32(41(58)47-23)51(5)45(33)62)12-17-34(35)65-46-39(56)38(55)37(54)36(22-53)66-46/h8-17,21,23-25,31-33,36-39,46,53-56H,18-20,22H2,1-7H3,(H,47,58)(H,48,57)(H,49,59)/t23-,24+,25+,31+,32+,33+,36-,37-,38+,39-,46-/m1/s1
Standard InCHIKey	UYXWCWJRGWWTGU-BZILMZMLSA-N
External Identifiers	ChEMBL [CHEMBL1288990]; PubChem [10373581];
Reference of Component-Ingredient Pair	12808242

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2217	NA	Qian Cao	茜草

Ingredient ID: TCMC5297
Formula: C41H50N6O9

Common Name	Rubia Akane Ra-Vii
IUPAC Name	(1S,4R,7S,10S,13S,16R)-24-methoxy-10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,29-hexamethyl-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaene-2,5,8,11,14,30-hexone
Canonical SMILES	COc1ccc(cc1)C[C@H]1C(=O)N[C@@H](C)C(=O)N(C)[C@@H]2Cc3ccc(cc3)Oc3cc(C[C@H](N(C2=O)C)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1C)C)C)ccc3OC
Standard InCHI	InChI=1S/C41H50N6O9/c1-23-36(48)43-24(2)39(51)45(4)31(19-26-9-14-29(54-7)15-10-26)38(50)44-25(3)40(52)47(6)33-20-27-11-16-30(17-12-27)56-35-22-28(13-18-34(35)55-8)21-32(37(49)42-23)46(5)41(33)53/h9-18,22-25,31-33H,19-21H2,1-8H3,(H,42,49)(H,43,48)(H,44,50)/t23-,24+,25+,31+,32+,33-/m1/s1
Standard InCHIKey	MBQKTLYFUYNAPZ-AGXOXDDQSA-N
External Identifiers	ChEMBL [N/A]; PubChem [10033142];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2217	NA	Qian Cao	茜草

Ingredient ID: TCMC5285
Formula: C43H52N6O11

Common Name	Rubia Akane Ra-X
IUPAC Name	3-[(1S,4R,7S,10S,13S,16S)-24-methoxy-10-[(4-methoxyphenyl)methyl]-4,9,13,15,29-pentamethyl-2,5,8,11,14,30-hexaoxo-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaen-7-yl]propanoic acid
Canonical SMILES	COc1ccc(cc1)C[C@H]1C(=O)N[C@@H](C)C(=O)N(C)[C@H]2Cc3ccc(cc3)Oc3cc(C[C@H](N(C2=O)C)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1C)CCC(=O)[O-])C)ccc3OC
Standard InCHI	InChI=1S/C43H52N6O11/c1-24-38(52)46-31(17-19-37(50)51)42(56)47(3)32(20-26-8-13-29(58-6)14-9-26)40(54)45-25(2)41(55)49(5)34-21-27-10-15-30(16-11-27)60-36-23-28(12-18-35(36)59-7)22-33(39(53)44-24)48(4)43(34)57/h8-16,18,23-25,31-34H,17,19-22H2,1-7H3,(H,44,53)(H,45,54)(H,46,52)(H,50,51)/p-1/t24-,25+,31+,32+,33+,34+/m1/s1
Standard InCHIKey	HPQVYPRTUSUIMA-DETZFJOKSA-M
External Identifiers	ChEMBL [CHEMBL554360]; PubChem [10010692];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2217	NA	Qian Cao	茜草

Ingredient ID: TCMC4773
Formula: C28H30O15

Common Name	2-Methyl-1,3,6-Trihydroxy-9,10-Anthraqui-None-3-O-Β-D-Xylosyl-(1→2)-Β-D-(6'-O-Acetyl) Glucoside
IUPAC Name	[(2R,3S,4S,5R,6S)-6-(4,7-dihydroxy-3-methyl-9,10-dioxoanthracen-2-yl)oxy-3,4-dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]methyl acetate
Canonical SMILES	CC(=O)OC[C@H]1O[C@@H](Oc2cc3C(=O)c4cc(O)ccc4C(=O)c3c(c2C)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O
Standard InCHI	InChI=1S/C28H30O15/c1-9-16(6-14-18(19(9)32)21(34)12-4-3-11(30)5-13(12)20(14)33)41-28-26(43-27-25(38)22(35)15(31)7-40-27)24(37)23(36)17(42-28)8-39-10(2)29/h3-6,15,17,22-28,30-32,35-38H,7-8H2,1-2H3/t15-,17-,22+,23-,24+,25-,26-,27+,28-/m1/s1
Standard InCHIKey	JGCFTRKGKNECSV-ZIAPGWQOSA-N
External Identifiers	ChEMBL [N/A]; PubChem [5319802];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2217	NA	Qian Cao	茜草

Ingredient ID: TCMC4772
Formula: C15H10O5

Common Name	2-Methyl-1,3,6-Trihydroxyanthraquinone
IUPAC Name	1,3,6-trihydroxy-2-methylanthracene-9,10-dione
Canonical SMILES	Oc1ccc2c(c1)C(=O)c1c(C2=O)c(O)c(c(c1)O)C
Standard InCHI	InChI=1S/C15H10O5/c1-6-11(17)5-10-12(13(6)18)15(20)8-3-2-7(16)4-9(8)14(10)19/h2-5,16-18H,1H3
Standard InCHIKey	JKJVBHYKKRDSPP-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL251491]; PubChem [5319801];
Reference of Component-Ingredient Pair	22308688

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2217	NA	Qian Cao	茜草

Ingredient ID: TCMC4733
Formula: C17H14O5

Common Name	1-Methoxy-2-Methoxymethyl-3-Hydroxyanthraquinone
IUPAC Name	3-hydroxy-1-methoxy-2-(methoxymethyl)anthracene-9,10-dione
Canonical SMILES	COCc1c(O)cc2c(c1OC)C(=O)c1c(C2=O)cccc1
Standard InCHI	InChI=1S/C17H14O5/c1-21-8-12-13(18)7-11-14(17(12)22-2)16(20)10-6-4-3-5-9(10)15(11)19/h3-7,18H,8H2,1-2H3
Standard InCHIKey	NVVVVKLKMLQLMW-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL3956907]; PubChem [5319467];
Reference of Component-Ingredient Pair	US2014335050

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2217	NA	Qian Cao	茜草

Ingredient ID: TCMC3918
Formula: C15H8O7

Common Name	Pseudopurpurin
IUPAC Name	1,3,4-trihydroxy-9,10-dioxoanthracene-2-carboxylic acid
Canonical SMILES	O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2O)O)C(=O)[O-]
Standard InCHI	InChI=1S/C15H8O7/c16-10-5-3-1-2-4-6(5)11(17)8-7(10)12(18)9(15(21)22)14(20)13(8)19/h1-4,18-20H,(H,21,22)/p-1
Standard InCHIKey	OOKBSCGBRWBGFL-UHFFFAOYSA-M
External Identifiers	ChEMBL [N/A]; PubChem [442765];
Reference of Component-Ingredient Pair	22565471

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2217	NA	Qian Cao	茜草

Ingredient ID: TCMC3725
Formula: C14H8O4

Common Name	Purpuroxanthin
IUPAC Name	1,3-dihydroxyanthracene-9,10-dione
Canonical SMILES	Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)cccc1
Standard InCHI	InChI=1S/C14H8O4/c15-7-5-10-12(11(16)6-7)14(18)9-4-2-1-3-8(9)13(10)17/h1-6,15-16H
Standard InCHIKey	WPWWKBNOXTZDQJ-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL372711]; PubChem [196978];
Reference of Component-Ingredient Pair	22308688

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2217	NA	Qian Cao	茜草

Ingredient ID: TCMC3721
Formula: C23H22O11

Common Name	1,3,6-Trihydroxy-2-Methyl-9,10-Anthra-Quinone-3-O-(6'-O-Acetyl)-Β-D-Glucoside
IUPAC Name	[(2R,3S,4S,5R,6S)-6-(4,7-dihydroxy-3-methyl-9,10-dioxoanthracen-2-yl)oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Canonical SMILES	CC(=O)OC[C@H]1O[C@@H](Oc2cc3C(=O)c4cc(O)ccc4C(=O)c3c(c2C)O)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C23H22O11/c1-8-14(33-23-22(31)21(30)20(29)15(34-23)7-32-9(2)24)6-13-16(17(8)26)19(28)11-4-3-10(25)5-12(11)18(13)27/h3-6,15,20-23,25-26,29-31H,7H2,1-2H3/t15-,20-,21+,22-,23-/m1/s1
Standard InCHIKey	NZFWKPNBKZRWCW-NOGCDZMRSA-N
External Identifiers	ChEMBL [N/A]; PubChem [195713];
Reference of Component-Ingredient Pair	2099091

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2217	NA	Qian Cao	茜草

Ingredient ID: TCMC3669
Formula: C15H8O5

Common Name	4-Hydroxy-2-Carboxyanthraquinone
IUPAC Name	4-hydroxy-9,10-dioxoanthracene-2-carboxylic acid
Canonical SMILES	Oc1cc(cc2c1C(=O)c1ccccc1C2=O)C(=O)[O-]
Standard InCHI	InChI=1S/C15H8O5/c16-11-6-7(15(19)20)5-10-12(11)14(18)9-4-2-1-3-8(9)13(10)17/h1-6,16H,(H,19,20)/p-1
Standard InCHIKey	ICBHXKIMYNFEIB-UHFFFAOYSA-M
External Identifiers	ChEMBL [CHEMBL3884123]; PubChem [179447];
Reference of Component-Ingredient Pair	US5466553

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2217	NA	Qian Cao	茜草

Ingredient ID: TCMC3584
Formula: C15H8O5

Common Name	Nordamnacanthal
IUPAC Name	1,3-dihydroxy-9,10-dioxoanthracene-2-carbaldehyde
Canonical SMILES	O=Cc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1
Standard InCHI	InChI=1S/C15H8O5/c16-6-10-11(17)5-9-12(15(10)20)14(19)8-4-2-1-3-7(8)13(9)18/h1-6,17,20H
Standard InCHIKey	NSGZEHPFOUCUHD-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL2297225]; PubChem [160712];
Reference of Component-Ingredient Pair	20966871

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2217	NA	Qian Cao	茜草

Ingredient ID: TCMC3576
Formula: C15H8O6

Common Name	Munjistin
IUPAC Name	1,3-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid
Canonical SMILES	O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)C(=O)[O-]
Standard InCHI	InChI=1S/C15H8O6/c16-9-5-8-10(14(19)11(9)15(20)21)13(18)7-4-2-1-3-6(7)12(8)17/h1-5,16,19H,(H,20,21)/p-1
Standard InCHIKey	PLDISGVCDWLKQC-UHFFFAOYSA-M
External Identifiers	ChEMBL [N/A]; PubChem [160476];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2217	NA	Qian Cao	茜草

Ingredient ID: TCMC3491
Formula: C15H10O5

Common Name	Rubilactone
IUPAC Name	methyl 6-hydroxy-2-oxobenzo[h]chromene-5-carboxylate
Canonical SMILES	COC(=O)c1c(O)c2ccccc2c2c1ccc(=O)o2
Standard InCHI	InChI=1S/C15H10O5/c1-19-15(18)12-10-6-7-11(16)20-14(10)9-5-3-2-4-8(9)13(12)17/h2-7,17H,1H3
Standard InCHIKey	DYHKKGMKQBRCCG-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL502634]; PubChem [132415];
Reference of Component-Ingredient Pair	1442042

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2217	NA	Qian Cao	茜草

Ingredient ID: TCMC3169
Formula: C15H10O4

Common Name	Digiferrugineol
IUPAC Name	1-hydroxy-2-(hydroxymethyl)anthracene-9,10-dione
Canonical SMILES	OCc1ccc2c(c1O)C(=O)c1c(C2=O)cccc1
Standard InCHI	InChI=1S/C15H10O4/c16-7-8-5-6-11-12(13(8)17)15(19)10-4-2-1-3-9(10)14(11)18/h1-6,16-17H,7H2
Standard InCHIKey	JCZCSQSSSAHDCB-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL495276]; PubChem [32209];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2217	NA	Qian Cao	茜草

Ingredient ID: TCMC2909
Formula: C15H10O2

Common Name	2-Methylanthraquinone
IUPAC Name	2-methylanthracene-9,10-dione
Canonical SMILES	Cc1ccc2c(c1)C(=O)c1c(C2=O)cccc1
Standard InCHI	InChI=1S/C15H10O2/c1-9-6-7-12-13(8-9)15(17)11-5-3-2-4-10(11)14(12)16/h2-8H,1H3
Standard InCHIKey	NJWGQARXZDRHCD-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL21745]; PubChem [6773];
Reference of Component-Ingredient Pair	19737807

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH31	Morinda officinalis	Ba Ji Tian	巴戟天
TCMH2217	NA	Qian Cao	茜草

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
TCMC2909	C15H10O2	2-Methylanthraquinone	222.0680796	0.1144	2.89	4.397	2	0	34.14	0	3	17	0
TCMC3169	C15H10O4	Digiferrugineol	254.0579088	-1.4366	2.67	2.098	3	2	74.6	1	3	19	0
TCMC3491	C15H10O5	Rubilactone	270.0528234	-0.2068	2.56	3.104	3	1	63.6	2	3	20	0
TCMC3576	C15H8O6	Munjistin	283.0242629	-2.3658	2.45	1.036	4	2	114.73	1	3	21	0
TCMC3584	C15H8O5	Nordamnacanthal	268.0371734	-1.6406	2.56	2.235	3	2	91.67	1	3	20	0
TCMC3669	C15H8O5	4-Hydroxy-2-Carboxyanthraquinone	267.0293483	-1.9055	2.56	1.445	4	1	94.5	1	3	20	0
TCMC3721	C23H22O11	1,3,6-Trihydroxy-2-Methyl-9,10-Anthra-Quinone-3-O-(6'-O-Acetyl)-Β-D-Glucoside	474.1162115	-2.6343	2.78	-0.344	8	5	180.05	5	4	34	0
TCMC3725	C14H8O4	Purpuroxanthin	240.0422587	-1.4482	2.56	1.726	2	2	74.6	0	3	18	0
TCMC3918	C15H8O7	Pseudopurpurin	299.0191776	-2.8261	2.34	0.502	4	3	134.96	1	3	22	0
TCMC4733	C17H14O5	1-Methoxy-2-Methoxymethyl-3-Hydroxyanthraquinone	298.0841235	-1.0799	2.78	1.744	3	1	72.83	3	3	22	0
TCMC4772	C15H10O5	2-Methyl-1,3,6-Trihydroxyanthraquinone	270.0528234	-1.2665	2.56	0.453	2	3	94.83	0	3	20	0
TCMC4773	C28H30O15	2-Methyl-1,3,6-Trihydroxy-9,10-Anthraqui-None-3-O-Β-D-Xylosyl-(1→2)-Β-D-(6'-O-Acetyl) Glucoside	606.1584703	-3.8705	2.89	-1.638	12	7	238.97	7	5	43	2
TCMC5285	C43H52N6O11	Rubia Akane Ra-X	827.3615815	-5.5832	4.32	3.729	14	3	216.05	7	4	60	1
TCMC5297	C41H50N6O9	Rubia Akane Ra-Vii	770.3639272	-4.3611	4.32	4.735	12	3	175.92	4	4	56	1
TCMC5374	C46H58N6O14	Rubia Akane Ra-Xii	918.4011005	-6.5165	4.32	3.108	17	7	266.07	6	5	66	2
TCMC5532	C40H48N6O9	Rubia Akane Ra-Ii	756.3482771	-4.7696	4.21	4.216	12	4	186.92	3	4	55	1
TCMC5780	C32H50O4	3Β-Acetoxyolean-12-En-28-Oic Acid	497.363085	1.8311	4.54	9.311	4	0	66.43	3	5	36	1
TCMC5997	C40H48N6O9	Rubia Akane Ra-V	756.3482771	-4.7696	4.21	4.216	12	4	186.92	3	4	55	1
TCMC6154	C40H48N6O10	Rubia Akane Ra-I	772.3431917	-5.2696	4.1	3.513	13	5	207.15	4	4	56	1
TCMC6155	C41H50N6O10	Rubia Akane Ra-Iii	786.3588418	-4.8611	4.21	4.032	13	4	196.15	5	4	57	1
TCMC6204	C31H24O10	Rubioncolin B	556.136947	-1.1834	3.77	5.428	6	2	137.82	4	7	41	1
TCMC6222	C42H50N6O11	Rubia Akane Ra-Xi	813.3459314	-5.9917	4.21	3.21	14	4	227.05	6	4	59	1
TCMC6284	C43H50N6O10	Rubia Akane Ra-Ix	810.3588418	-4.7891	4.43	3.873	13	2	184.2	4	5	59	1
TCMC6407	C30H50O3	Rubiatriol	458.3759955	1.6206	4.43	7.067	3	3	60.69	1	5	33	1
TCMC6426	C32H52O4	Rubiprasin B	500.3865601	2.1785	4.54	9.273	4	1	63.6	2	5	36	1
TCMC6432	C32H52O5	Rubiprasin A	516.3814748	1.6054	4.43	8.032	5	2	83.83	2	5	37	1
TCMC6534	C32H52O5	Rubiarbonol D	516.3814748	1.777	4.43	6.566	5	3	86.99	3	5	37	1
TCMC6716	C20H18O9	Xanthopurpurin-3-O-Β-D-Glucoside	402.0950822	-3.1951	2.67	0.618	7	5	153.75	3	4	29	0
TCMC6836	C27H30O14	2-Methyl-1,3,6-Trihydroxyanthraquinone 3-O-Α-L-Rhamnosyl-(1→2)- Β-D-Glucoside	578.1635556	-4.2603	2.89	-1.489	11	8	232.9	5	5	41	2
TCMC6868	C29H32O15	1,3,6-Trihydroxy-2-Methylanthraquinone-3-O-Α-Rhamnosyl(1→2)-3'-O-Acetylglucoside	620.1741203	-3.8812	3	-1.178	12	7	238.97	7	5	44	2
TCMC6869	C29H32O15	2-Methyl-1,3,6-Trihydroxy-9,10-Anthraquinone 3-O-(Α-L-Rhamnopyranosyl-(1→2)(6'-Acetyl)-Β-D-Glucopyranoside)	620.1741203	-3.8812	3	-1.178	12	7	238.97	7	5	44	2
TCMC6985	C30H48O4	Rubifolic Acid	471.347435	-0.0822	4.32	6.497	4	2	80.59	2	5	34	1
TCMC7357	C16H10O6	1-Hydroxy-2-Carboxy-3-Methoxyanthraquinone	297.039913	-1.9573	2.56	1.555	4	1	103.73	2	3	22	0

Download Data

All data can be downloaded by:

→ Selecting data type in the below download table
→ Then click the download button.

Data Section	Select to Download
1. General Information of the Component
2. TCM Prescriptions with the Component
3. Putative Targets
4. Activity & References for Filtering Putative Targets
5. Ingredient Data & Chemical Structure Information (Properties, InChI, InChIkey, SMILES, etc.)

Component: NA 茜草

Description of the Component

Component ID

Latin Name

English Name

Chinese Pinyin Name

中文名

TCM Properties

TCM Meridians

Therapeutic Class English

Therapeutic Class Chinese

Functions

Toxicity

Geo-authentic habitats (道地产区)

Reference

Barcode ID

Barcode Source

TCM Prescriptions with the Component

Targeted Human Proteins by the Ingredient of Component

Targeted Pathogenic Microbes by the Ingredient of Component

Ingredient Structrues

Ingredient ID: TCMC7357

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6985

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6869

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6868

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6836

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6716

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6534

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6432

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6426

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6407

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6284

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6222

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6204

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6155

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6154

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5997

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5780

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5532

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5374

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5297

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5285

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4773

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4772

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4733

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3918

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3725

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3721

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3669

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3584

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3576