TCM-ID Component

Description of the Component

Component ID	TCMH1057
Latin Name	Alisma orientale
English Name	Oriental waterplantain
Chinese Pinyin Name	Jian Ze Xie
中文名	建泽泻
TCM Properties
TCM Meridians
Therapeutic Class English
Therapeutic Class Chinese
Functions
Toxicity	NA
Geo-authentic habitats (道地产区)	NA
Reference	Chinese Pharmacopoeia (2015)
Barcode ID	KC573871
Barcode Source	GenBank

TCM Prescriptions with the Component

Prescription ID	Prescription English Name	Prescription Chinese Name
TCMF2871	Huo Pu Xia Ling Decoction	藿朴夏苓汤

Targeted Human Proteins by the Ingredient of Component

Target ID	Gene Symbol	Target Name	Target Class	Uniprot ID
TCMT210	CES2	Carboxylesterase 2	Hydrolase	O00748
TCMT41	IDH1	Isocitrate dehydrogenase [NADP] cytoplasmic	Oxidoreductase	O75874

Targeted Pathogenic Microbes by the Ingredient of Component

Target ID	Target Name
TCMT1464	Hepatitis B virus

Ingredient Structrues

Ingredient ID: TCMC653
Formula: C31H48O6

Common Name	Alisol B 23-Acetate
IUPAC Name	(3S,5R)-3-(3,3-dimethyloxiran-2-yl)-3-hydroxy-5-[(8S,9R,10S,11S,14R)-11-hydroxy-4,4,10,14-tetramethyl-3-oxo-2,5,6,7,8,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]hexanoic acid
Canonical SMILES	OC(=O)C[C@](C1OC1(C)C)(C[C@H](C1=C2C[C@H](O)[C@@H]3[C@@H]([C@]2(CC1)C)CCC1[C@]3(C)CCC(=O)C1(C)C)C)O
Standard InCHI	InChI=1S/C31H48O6/c1-17(15-31(36,16-24(34)35)26-28(4,5)37-26)18-10-12-29(6)19-8-9-22-27(2,3)23(33)11-13-30(22,7)25(19)21(32)14-20(18)29/h17,19,21-22,25-26,32,36H,8-16H2,1-7H3,(H,34,35)/t17-,19+,21+,22?,25+,26?,29-,30+,31+/m1/s1
Standard InCHIKey	CPYFCYMXHGAZTF-WXYIYAPGSA-N
External Identifiers	ChEMBL [CHEMBL2074634]; PubChem [70695224];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2581	Alisma orientale	Ze Xie	泽泻
TCMH1057	Alisma orientale	Jian Ze Xie	建泽泻
TCMH2410	Alisma orientale	Yan Ze Xie	盐泽泻

Ingredient ID: TCMC652
Formula: C30H50O5

Common Name	Alisol A
IUPAC Name	(5R,8S,9S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-17-[(2R,4S,5R)-4,5,6-trihydroxy-6-methylheptan-2-yl]-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one
Canonical SMILES	O[C@H]([C@H](C(O)(C)C)O)C[C@H](C1=C2C[C@H](O)[C@@H]3[C@]([C@]2(CC1)C)(C)CC[C@@H]1[C@]3(C)CCC(=O)C1(C)C)C
Standard InCHI	InChI=1S/C30H50O5/c1-17(15-21(32)25(34)27(4,5)35)18-9-13-29(7)19(18)16-20(31)24-28(6)12-11-23(33)26(2,3)22(28)10-14-30(24,29)8/h17,20-22,24-25,31-32,34-35H,9-16H2,1-8H3/t17-,20+,21+,22+,24+,25-,28+,29+,30+/m1/s1
Standard InCHIKey	HNOSJVWYGXOFRP-UNPOXIGHSA-N
External Identifiers	ChEMBL [CHEMBL467814]; PubChem [15558616];
Reference of Component-Ingredient Pair	19639784

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2581	Alisma orientale	Ze Xie	泽泻
TCMH1057	Alisma orientale	Jian Ze Xie	建泽泻
TCMH2410	Alisma orientale	Yan Ze Xie	盐泽泻

Ingredient ID: TCMC1716
Formula: C30H50O4

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	O[C@H]([C@H](C(O)(C)C)O)C[C@H](C1=C2CC[C@@H]3[C@]([C@]2(CC1)C)(C)CC[C@@H]1[C@]3(C)CCC(=O)C1(C)C)C
Standard InCHI	InChI=1S/C30H50O4/c1-18(17-21(31)25(33)27(4,5)34)19-11-15-29(7)20(19)9-10-23-28(6)14-13-24(32)26(2,3)22(28)12-16-30(23,29)8/h18,21-23,25,31,33-34H,9-17H2,1-8H3/t18-,21+,22+,23+,25-,28+,29+,30+/m1/s1
Standard InCHIKey	CXFVPKAJKNKSNF-DNRQRXMOSA-N
External Identifiers	ChEMBL [CHEMBL3632954]; PubChem [N/A];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2581	Alisma orientale	Ze Xie	泽泻
TCMH1057	Alisma orientale	Jian Ze Xie	建泽泻
TCMH2410	Alisma orientale	Yan Ze Xie	盐泽泻

Ingredient ID: TCMC1699
Formula: C30H46O4

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	CC(=C)[C@@H]([C@@H]1C[C@@H](C)C2=C3[C@@](C[C@@H]2O1)(C)[C@@]1(C)CC[C@@H]2[C@]([C@@H]1[C@H](C3)O)(C)CCC(=O)C2(C)C)O
Standard InCHI	InChI=1S/C30H46O4/c1-16(2)25(33)20-13-17(3)24-18-14-19(31)26-28(6)11-10-23(32)27(4,5)22(28)9-12-29(26,7)30(18,8)15-21(24)34-20/h17,19-22,25-26,31,33H,1,9-15H2,2-8H3/t17-,19+,20+,21+,22+,25+,26+,28+,29+,30+/m1/s1
Standard InCHIKey	MRBFVJVQQIVGMY-CDJAXXMBSA-N
External Identifiers	ChEMBL [CHEMBL3632958];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2581	Alisma orientale	Ze Xie	泽泻
TCMH1057	Alisma orientale	Jian Ze Xie	建泽泻
TCMH2410	Alisma orientale	Yan Ze Xie	盐泽泻

Ingredient ID: TCMC1698
Formula: C32H48O5

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	CC(=O)O[C@@H](C(O)(C)C)[C@@H]1C[C@@H](C)C2=C3[C@@](C[C@@H]2O1)(C)[C@@]1(C)CC[C@@H]2[C@]([C@@H]1C=C3)(C)CCC(=O)C2(C)C
Standard InCHI	InChI=1S/C32H48O5/c1-18-16-21(27(29(5,6)35)36-19(2)33)37-22-17-32(9)20(26(18)22)10-11-24-30(7)14-13-25(34)28(3,4)23(30)12-15-31(24,32)8/h10-11,18,21-24,27,35H,12-17H2,1-9H3/t18-,21+,22+,23+,24+,27-,30+,31+,32+/m1/s1
Standard InCHIKey	YDONEKYGVGENMF-XEDHJYNPSA-N
External Identifiers	ChEMBL [CHEMBL3632957];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2581	Alisma orientale	Ze Xie	泽泻
TCMH1057	Alisma orientale	Jian Ze Xie	建泽泻
TCMH2410	Alisma orientale	Yan Ze Xie	盐泽泻

Ingredient ID: TCMC1697
Formula: C30H46O4

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	O[C@@H](C(O)(C)C)[C@@H]1C[C@@H](C)C2=C3[C@@](C[C@@H]2O1)(C)[C@@]1(C)CC[C@@H]2[C@]([C@@H]1C=C3)(C)CCC(=O)C2(C)C
Standard InCHI	InChI=1S/C30H46O4/c1-17-15-19(25(32)27(4,5)33)34-20-16-30(8)18(24(17)20)9-10-22-28(6)13-12-23(31)26(2,3)21(28)11-14-29(22,30)7/h9-10,17,19-22,25,32-33H,11-16H2,1-8H3/t17-,19+,20+,21+,22+,25-,28+,29+,30+/m1/s1
Standard InCHIKey	ZQFQEWOYCZTQFY-OZBSICFQSA-N
External Identifiers	ChEMBL [CHEMBL3632956];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2581	Alisma orientale	Ze Xie	泽泻
TCMH1057	Alisma orientale	Jian Ze Xie	建泽泻
TCMH2410	Alisma orientale	Yan Ze Xie	盐泽泻

Ingredient ID: TCMC1696
Formula: C32H50O6

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	CC(=O)O[C@H]1C[C@@H](C)C2=C3C[C@H](O)[C@@H]4[C@]([C@]3(C[C@@H]2O[C@@H]1C(O)(C)C)C)(C)CC[C@@H]1[C@]4(C)CCC(=O)C1(C)C
Standard InCHI	InChI=1S/C32H50O6/c1-17-14-21(37-18(2)33)27(29(5,6)36)38-22-16-32(9)19(25(17)22)15-20(34)26-30(7)12-11-24(35)28(3,4)23(30)10-13-31(26,32)8/h17,20-23,26-27,34,36H,10-16H2,1-9H3/t17-,20+,21+,22+,23+,26+,27+,30+,31+,32+/m1/s1
Standard InCHIKey	QJQGTCCCAJRIPR-QRPPABIJSA-N
External Identifiers	ChEMBL [CHEMBL3632955];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2581	Alisma orientale	Ze Xie	泽泻
TCMH1057	Alisma orientale	Jian Ze Xie	建泽泻
TCMH2410	Alisma orientale	Yan Ze Xie	盐泽泻

Ingredient ID: TCMC1695
Formula: C30H46O5

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	O[C@H]([C@@H](C(O)(C)C)O)C[C@H](C1=C2C=C[C@@H]3[C@]([C@]2(CC1=O)C)(C)CC[C@@H]1[C@]3(C)CCC(=O)C1(C)C)C
Standard InCHI	InChI=1S/C30H46O5/c1-17(15-19(31)25(34)27(4,5)35)24-18-9-10-22-28(6)13-12-23(33)26(2,3)21(28)11-14-29(22,7)30(18,8)16-20(24)32/h9-10,17,19,21-22,25,31,34-35H,11-16H2,1-8H3/t17-,19+,21+,22+,25+,28+,29+,30+/m1/s1
Standard InCHIKey	PGQUPZCFLHXEHV-KPYCMCGFSA-N
External Identifiers	ChEMBL [CHEMBL3632953];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2581	Alisma orientale	Ze Xie	泽泻
TCMH1057	Alisma orientale	Jian Ze Xie	建泽泻
TCMH2410	Alisma orientale	Yan Ze Xie	盐泽泻

Ingredient ID: TCMC1694
Formula: C29H46O5

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	O[C@H]([C@H](C(O)(C)C)O)C[C@H](C1=C2C[C@H](O)[C@@H]3[C@]([C@]2(CC1)C)(C)CC[C@@H]1[C@]3(C)CC(=O)C=C1C)C
Standard InCHI	InChI=1S/C29H46O5/c1-16(13-23(32)25(33)26(3,4)34)19-8-10-28(6)21(19)14-22(31)24-27(5)15-18(30)12-17(2)20(27)9-11-29(24,28)7/h12,16,20,22-25,31-34H,8-11,13-15H2,1-7H3/t16-,20+,22+,23+,24+,25-,27+,28+,29+/m1/s1
Standard InCHIKey	DCYOPZMJKBYLCO-QJDZRUNDSA-N
External Identifiers	ChEMBL [CHEMBL3632950];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2581	Alisma orientale	Ze Xie	泽泻
TCMH1057	Alisma orientale	Jian Ze Xie	建泽泻
TCMH2410	Alisma orientale	Yan Ze Xie	盐泽泻

Ingredient ID: TCMC1693
Formula: C30H48O3

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	C[C@@H]([C@H]1CC[C@]2(C1=CC=C1[C@]2(C)CC[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)CC[C@@H](C(O)(C)C)O
Standard InCHI	InChI=1S/C30H48O3/c1-19(9-12-25(32)27(4,5)33)20-13-17-29(7)21(20)10-11-23-28(6)16-15-24(31)26(2,3)22(28)14-18-30(23,29)8/h10-11,19-20,22,25,32-33H,9,12-18H2,1-8H3/t19-,20-,22+,25+,28+,29+,30+/m1/s1
Standard InCHIKey	OKSOIVLQNAAMNU-QXGHGRIXSA-N
External Identifiers	ChEMBL [CHEMBL3632948];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2581	Alisma orientale	Ze Xie	泽泻
TCMH1057	Alisma orientale	Jian Ze Xie	建泽泻
TCMH2410	Alisma orientale	Yan Ze Xie	盐泽泻

Ingredient ID: TCMC1692
Formula: C30H48O5

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	C[C@@H](C1=C2C[C@H](O)[C@@H]3[C@]([C@]2(C=C1)C)(C)CC[C@@H]1[C@]3(C)CCC(=O)C1(C)C)C[C@@H]([C@H](C(O)(C)C)O)O
Standard InCHI	InChI=1S/C30H48O5/c1-17(15-21(32)25(34)27(4,5)35)18-9-13-29(7)19(18)16-20(31)24-28(6)12-11-23(33)26(2,3)22(28)10-14-30(24,29)8/h9,13,17,20-22,24-25,31-32,34-35H,10-12,14-16H2,1-8H3/t17-,20+,21+,22+,24+,25-,28+,29+,30+/m1/s1
Standard InCHIKey	OVJNKAWWCRMIMP-UNPOXIGHSA-N
External Identifiers	ChEMBL [CHEMBL3632947];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2581	Alisma orientale	Ze Xie	泽泻
TCMH1057	Alisma orientale	Jian Ze Xie	建泽泻
TCMH2410	Alisma orientale	Yan Ze Xie	盐泽泻

Ingredient ID: TCMC1691
Formula: C32H54O5

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	CCOC([C@@H]([C@H](C[C@H](C1=C2C[C@H](O)[C@@H]3[C@]([C@]2(CC1)C)(C)CC[C@@H]1[C@]3(C)CCC(=O)C1(C)C)C)O)O)(C)C
Standard InCHI	InChI=1S/C32H54O5/c1-10-37-29(5,6)27(36)23(34)17-19(2)20-11-15-31(8)21(20)18-22(33)26-30(7)14-13-25(35)28(3,4)24(30)12-16-32(26,31)9/h19,22-24,26-27,33-34,36H,10-18H2,1-9H3/t19-,22+,23+,24+,26+,27-,30+,31+,32+/m1/s1
Standard InCHIKey	QVVRXENOONWNGX-IPAXGOGQSA-N
External Identifiers	ChEMBL [CHEMBL3632946];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2581	Alisma orientale	Ze Xie	泽泻
TCMH1057	Alisma orientale	Jian Ze Xie	建泽泻
TCMH2410	Alisma orientale	Yan Ze Xie	盐泽泻

Ingredient ID: TCMC1690
Formula: C32H48O6

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	CC(=O)O[C@H]([C@@H](C(O)(C)C)O)C[C@H](C1=C2C=C[C@@H]3[C@]([C@]2(CC1=O)C)(C)CC[C@@H]1[C@]3(C)CCC(=O)C1(C)C)C
Standard InCHI	InChI=1S/C32H48O6/c1-18(16-22(38-19(2)33)27(36)29(5,6)37)26-20-10-11-24-30(7)14-13-25(35)28(3,4)23(30)12-15-31(24,8)32(20,9)17-21(26)34/h10-11,18,22-24,27,36-37H,12-17H2,1-9H3/t18-,22+,23+,24+,27+,30+,31+,32+/m1/s1
Standard InCHIKey	QFRHSOZLXIIAOY-SUQVKKFHSA-N
External Identifiers	ChEMBL [CHEMBL3632943];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2581	Alisma orientale	Ze Xie	泽泻
TCMH1057	Alisma orientale	Jian Ze Xie	建泽泻
TCMH2410	Alisma orientale	Yan Ze Xie	盐泽泻

Ingredient ID: TCMC1689
Formula: C30H44O4

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	CC(=C)[C@H]([C@H](C[C@H](C1=C2C=C[C@@H]3[C@]([C@]2(CC1=O)C)(C)CC[C@@H]1[C@]3(C)CCC(=O)C1(C)C)C)O)O
Standard InCHI	InChI=1S/C30H44O4/c1-17(2)26(34)20(31)15-18(3)25-19-9-10-23-28(6)13-12-24(33)27(4,5)22(28)11-14-29(23,7)30(19,8)16-21(25)32/h9-10,18,20,22-23,26,31,34H,1,11-16H2,2-8H3/t18-,20+,22+,23+,26-,28+,29+,30+/m1/s1
Standard InCHIKey	MPDDCFALNXXKHF-AJFHEMKZSA-N
External Identifiers	ChEMBL [CHEMBL3632942];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2581	Alisma orientale	Ze Xie	泽泻
TCMH1057	Alisma orientale	Jian Ze Xie	建泽泻
TCMH2410	Alisma orientale	Yan Ze Xie	盐泽泻

Ingredient ID: TCMC1688
Formula: C30H44O5

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	O=C([C@@H](C(O)(C)C)O)C[C@H](C1=C2C=C[C@@H]3[C@]([C@]2(CC1=O)C)(C)CC[C@@H]1[C@]3(C)CCC(=O)C1(C)C)C
Standard InCHI	InChI=1S/C30H44O5/c1-17(15-19(31)25(34)27(4,5)35)24-18-9-10-22-28(6)13-12-23(33)26(2,3)21(28)11-14-29(22,7)30(18,8)16-20(24)32/h9-10,17,21-22,25,34-35H,11-16H2,1-8H3/t17-,21+,22+,25+,28+,29+,30+/m1/s1
Standard InCHIKey	GHJSMGTZWLBPHU-DSAUVPRUSA-N
External Identifiers	ChEMBL [CHEMBL3632941];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2581	Alisma orientale	Ze Xie	泽泻
TCMH1057	Alisma orientale	Jian Ze Xie	建泽泻
TCMH2410	Alisma orientale	Yan Ze Xie	盐泽泻

Ingredient ID: TCMC1687
Formula: C30H48O3

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	CC(=C)[C@H]([C@H](C[C@H](C1=C2CC[C@@H]3[C@]([C@]2(CC1)C)(C)CC[C@@H]1[C@]3(C)CCC(=O)C1(C)C)C)O)O
Standard InCHI	InChI=1S/C30H48O3/c1-18(2)26(33)22(31)17-19(3)20-11-15-29(7)21(20)9-10-24-28(6)14-13-25(32)27(4,5)23(28)12-16-30(24,29)8/h19,22-24,26,31,33H,1,9-17H2,2-8H3/t19-,22+,23+,24+,26-,28+,29+,30+/m1/s1
Standard InCHIKey	KSXSGXZOFUHSPA-HQQZCOGHSA-N
External Identifiers	ChEMBL [CHEMBL3632627];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2581	Alisma orientale	Ze Xie	泽泻
TCMH1057	Alisma orientale	Jian Ze Xie	建泽泻
TCMH2410	Alisma orientale	Yan Ze Xie	盐泽泻

Ingredient ID: TCMC1667
Formula: C32H52O6

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	CC(=O)O[C@H](C(O)(C)C)[C@H](C[C@H](C1=C2C[C@H](O)[C@@H]3[C@]([C@]2(CC1)C)(C)CC[C@@H]1[C@]3(C)CCC(=O)C1(C)C)C)O
Standard InCHI	InChI=1S/C32H52O6/c1-18(16-23(35)27(29(5,6)37)38-19(2)33)20-10-14-31(8)21(20)17-22(34)26-30(7)13-12-25(36)28(3,4)24(30)11-15-32(26,31)9/h18,22-24,26-27,34-35,37H,10-17H2,1-9H3/t18-,22+,23+,24+,26+,27+,30+,31+,32+/m1/s1
Standard InCHIKey	WXHUQVMHWUQNTG-GLHMJAHESA-N
External Identifiers	ChEMBL [CHEMBL3632952]; PubChem [N/A];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2581	Alisma orientale	Ze Xie	泽泻
TCMH1057	Alisma orientale	Jian Ze Xie	建泽泻
TCMH2410	Alisma orientale	Yan Ze Xie	盐泽泻

Ingredient ID: TCMC1641
Formula: C30H48O7

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	O=C1O[C@H]2CC3=C(CC[C@@]3([C@@]3([C@@H]2[C@](C1)(C)[C@@H](CC3)C(C(=O)O)(C)C)C)C)[C@@H](C[C@@H]([C@H](C(O)(C)C)O)O)C
Standard InCHI	InChI=1S/C30H48O7/c1-16(13-19(31)24(33)27(4,5)36)17-9-11-29(7)18(17)14-20-23-28(6,15-22(32)37-20)21(10-12-30(23,29)8)26(2,3)25(34)35/h16,19-21,23-24,31,33,36H,9-15H2,1-8H3,(H,34,35)/t16-,19+,20+,21+,23+,24-,28+,29+,30+/m1/s1
Standard InCHIKey	KKXUNIAWSGXCIU-BFUVOVAVSA-N
External Identifiers	ChEMBL [CHEMBL3632959];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2581	Alisma orientale	Ze Xie	泽泻
TCMH1057	Alisma orientale	Jian Ze Xie	建泽泻
TCMH2410	Alisma orientale	Yan Ze Xie	盐泽泻

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
TCMC652	C30H50O5	Alisol A	490.37	0.8749	4.21	3.911	5	4	97.99	17	4	35	0
TCMC653	C31H48O6	Alisol B 23-Acetate	516.35	0.992	4.21	3.857	6	3	107.36	16	5	37	0
TCMC1641	C30H48O7		520.34	1.2057	3.99	4.028	7	4	124.29	19	4	37	0
TCMC1667	C32H52O6		532.38	1.254	4.32	4.651	6	3	104.06	19	4	38	0
TCMC1687	C30H48O3		456.36	2.6613	4.43	6.571	3	2	57.53	14	4	33	1
TCMC1688	C30H44O5		484.32	1.486	4.21	4.184	5	2	91.67	15	4	35	0
TCMC1689	C30H44O4		468.32	2.5867	4.32	4.691	4	2	74.6	14	4	34	0
TCMC1690	C32H48O6		528.35	1.9457	4.32	5.067	6	2	100.9	18	4	38	1
TCMC1691	C32H54O5		518.4	1.5338	4.43	4.853	5	3	86.99	19	4	37	0
TCMC1692	C30H48O5		488.35	1.2179	4.21	4.416	5	4	97.99	17	4	35	0
TCMC1693	C30H48O3		456.36	2.3035	4.43	6.608	3	2	57.53	15	4	33	1
TCMC1694	C29H46O5		474.33	0.7058	4.1	3.572	5	4	97.99	16	4	34	0
TCMC1695	C30H46O5		486.33	1.5666	4.21	4.327	5	3	94.83	16	4	35	0
TCMC1696	C32H50O6		530.36	1.4474	4.32	4.061	6	2	93.06	14	5	38	0
TCMC1697	C30H46O4		470.34	2.1138	4.32	5.288	4	2	66.76	12	5	34	1
TCMC1698	C32H48O5		512.35	2.4929	4.43	6.028	5	1	72.83	14	5	37	1
TCMC1699	C30H46O4		470.34	2.0884	4.32	3.685	4	2	66.76	11	5	34	0
TCMC1716	C30H50O4		474.37	1.6412	4.32	6.207	4	3	77.76	16	4	34	1

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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: Alisma orientale 建泽泻

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: TCMC653

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC652

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1716

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1699

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1698

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1697

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1696

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1695

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1694

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1693

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1692

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1691

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1690

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1689

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1688

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1687

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1667

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1641

Occurrence of the ingredient across TCM components

Properties

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