Description of the Component
Component ID |
TCMH2161 |
Latin Name |
Vaccaria segetalis |
English Name |
Cowherb |
Chinese Pinyin Name |
Wang Bu Liu Xing |
中文名 |
王不留行 |
TCM Properties |
Mild,Bitter |
TCM Meridians |
Stomach,Liver |
Therapeutic Class English |
Blood activation and stasis removal |
Therapeutic Class Chinese |
活血化淤 |
Functions |
invigorate blood and promote menstruation, promote lactation |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
Hebei Province,Beijing,Tianjin |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
|
Barcode Source |
TCM Prescriptions with the Component
| Prescription ID | Prescription English Name | Prescription Chinese Name |
|---|---|---|
| TCMF1091 | Jing Fu Kang Granules | 颈复康颗粒 |
| TCMF1996 | Turbid Control Decoction | 苓薏败酱汤 |
| TCMF2 | Dan Yi Tablets | 丹益片 |
| TCMF2195 | Qi Long Prostate Decoction | |
| TCMF2251 | Powder of Pyrrosiae | 石韦散 |
| TCMF2449 | Stagnation Removing Decoction | |
| TCMF2504 | Liver Soothing and Pregency Assisting Decoction | 疏肝助孕汤 |
| TCMF2555 | Liver Soothing and Stagnation Desolving Decoction | 疏肝散结汤 |
| TCMF2914 | E Jiao Sheng Hua Ointment | 阿胶生化膏 |
| TCMF3207 | Geng Nian Ning | 更年宁 |
Showing 1 to 10 of 37 entries
Targeted Human Proteins by the Ingredient of Component
| Target ID | Gene Symbol | Target Name | Target Class | Uniprot ID |
|---|---|---|---|---|
| TCMT133 | CA1 | Carbonic anhydrase I | Lyase | P00915 |
| TCMT134 | CA2 | Carbonic anhydrase II | Lyase | P00918 |
| TCMT137 | CA9 | Carbonic anhydrase IX | Lyase | Q16790 |
| TCMT138 | CA7 | Carbonic anhydrase VII | Lyase | P43166 |
| TCMT139 | CA6 | Carbonic anhydrase VI | Lyase | P23280 |
| TCMT142 | CA4 | Carbonic anhydrase IV | Lyase | P22748 |
Showing 1 to 6 of 6 entries
Targeted Pathogenic Microbes by the Ingredient of Component
Ingredient Structrues
Ingredient ID: TCMC963
Formula: CHN
Ingredient ID: TCMC963
| Common Name | Cyanide |
| IUPAC Name | formonitrile |
| Canonical SMILES | C#N |
| Standard InCHI | InChI=1S/CHN/c1-2/h1H |
| Standard InCHIKey | LELOWRISYMNNSU-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL183419]; PubChem [768]; |
| Reference of Component-Ingredient Pair | 26419973 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1377 | Astilbe chinensis | Luo Xin Fu | 落新妇 |
| TCMH1448 | Mangifera indica | Mang Guo Ye | 芒果叶 |
| TCMH1615 | Eriobotrya japonica | Pi Ba Ren | 枇杷仁 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2161 | Vaccaria segetalis | Wang Bu Liu Xing | 王不留行 |
| TCMH2191 | Prunus mume | Wu Mei | 乌梅 |
| TCMH2192 | Prunus mume | Wu Mei Rou | 乌梅肉 |
| TCMH2536 | Prunus japonica | Yu Li Ren | 郁李仁 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH724 | Vaccaria segetalis | Guang Dong Wang Bu Liu Xing | 广东王不留行 |
Showing 1 to 10 of 11 entries
Ingredient ID: TCMC7291
Formula: C22H32O14
Ingredient ID: TCMC7291
| Common Name | Segetoside A |
| IUPAC Name | [(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)propanoate |
| Canonical SMILES | OC[C@H]1O[C@@]([C@H]([C@@H]1O)O)(CO)O[C@H]1O[C@H](COC(=O)CCc2ccc(c(c2)OC)O)[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C22H32O14/c1-32-12-6-10(2-4-11(12)25)3-5-15(26)33-8-14-16(27)18(29)19(30)21(34-14)36-22(9-24)20(31)17(28)13(7-23)35-22/h2,4,6,13-14,16-21,23-25,27-31H,3,5,7-9H2,1H3/t13-,14-,16-,17-,18+,19-,20+,21-,22+/m1/s1 |
| Standard InCHIKey | HBGHQKVJYBCGON-LUQRLMJOSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [102316547]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6175
Formula: C16H12O8
Ingredient ID: TCMC6175
| Common Name | Vaccaxanthone |
| IUPAC Name | 1,8-dihydroxy-4,6-dimethoxy-9-oxoxanthene-2-carboxylic acid |
| Canonical SMILES | COc1cc(O)c2c(c1)oc1c(c2=O)c(O)c(cc1OC)C(=O)[O-] |
| Standard InCHI | InChI=1S/C16H12O8/c1-22-6-3-8(17)11-9(4-6)24-15-10(23-2)5-7(16(20)21)13(18)12(15)14(11)19/h3-5,17-18H,1-2H3,(H,20,21)/p-1 |
| Standard InCHIKey | XXSWIKUEZGNXHS-UHFFFAOYSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [14577188]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6049
Formula: C36H54O10
Ingredient ID: TCMC6049
| Common Name | Vaccaroside |
| IUPAC Name | (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4-formyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid |
| Canonical SMILES | O=C[C@]1(C)[C@H](CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(CC1)(C)C)C(=O)[O-])C)C)O[C@@H]1O[C@H](C(=O)[O-])[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C36H54O10/c1-31(2)13-15-36(30(43)44)16-14-34(5)19(20(36)17-31)7-8-22-32(3)11-10-23(33(4,18-37)21(32)9-12-35(22,34)6)45-29-26(40)24(38)25(39)27(46-29)28(41)42/h7,18,20-27,29,38-40H,8-17H2,1-6H3,(H,41,42)(H,43,44)/p-2/t20-,21+,22+,23-,24-,25-,26+,27-,29+,32-,33-,34+,35+,36-/m0/s1 |
| Standard InCHIKey | NUSHOJSYOLRGAX-ALBXZGMBSA-L |
| External Identifiers | ChEMBL [CHEMBL2043372]; PubChem [13919535]; |
| Reference of Component-Ingredient Pair | 2616630 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5052
Formula: C18H10N2O4
Ingredient ID: TCMC5052
| Common Name | Melanin |
| IUPAC Name | 6,14-dimethyl-4,12-diazapentacyclo[8.6.1.12,5.013,17.09,18]octadeca-1(17),2,5,9(18),10,13-hexaene-7,8,15,16-tetrone |
| Canonical SMILES | Cc1c2[nH]cc3c2c(c(=O)c1=O)c1c[nH]c2c1c3c(=O)c(=O)c2C |
| Standard InCHI | InChI=1S/C18H10N2O4/c1-5-13-9-7(3-19-13)12-10-8(11(9)17(23)15(5)21)4-20-14(10)6(2)16(22)18(12)24/h3-4,19-20H,1-2H3 |
| Standard InCHIKey | XUMBMVFBXHLACL-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [6325610]; |
| Reference of Component-Ingredient Pair | 26586997 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3530
Formula: C27H30O15
Ingredient ID: TCMC3530
| Common Name | Isosaponarin |
| IUPAC Name | 5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2ccc(cc2)c2cc(=O)c3c(o2)cc(c(c3O)[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C27H30O15/c28-7-15-19(32)22(35)24(37)26(41-15)18-12(31)6-14-17(21(18)34)11(30)5-13(40-14)9-1-3-10(4-2-9)39-27-25(38)23(36)20(33)16(8-29)42-27/h1-6,15-16,19-20,22-29,31-38H,7-8H2/t15-,16-,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1 |
| Standard InCHIKey | SFNFQCXADNWOCI-KETMJRJWSA-N |
| External Identifiers | ChEMBL [CHEMBL1643081]; PubChem [154105]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC3530 | C27H30O15 | Isosaponarin | 594.1584703 | -5.5001 | 2.78 | -2.057 | 11 | 10 | 247.06 | 6 | 5 | 42 | 2 |
| TCMC5052 | C18H10N2O4 | Melanin | 318.0640568 | -0.9612 | 2.78 | -0.262 | 6 | 2 | 99.86 | 0 | 5 | 24 | 0 |
| TCMC6049 | C36H54O10 | Vaccaroside | 644.3560479 | -1.7049 | 4.32 | 5.685 | 10 | 3 | 176.48 | 5 | 6 | 46 | 1 |
| TCMC6175 | C16H12O8 | Vaccaxanthone | 331.0453923 | -2.1673 | 2.34 | -0.54 | 5 | 2 | 116.12 | 3 | 3 | 24 | 0 |
| TCMC7291 | C22H32O14 | Segetoside A | 520.1792057 | -4.3562 | 2.34 | -1.91 | 12 | 8 | 225.06 | 11 | 3 | 36 | 3 |
| TCMC963 | CHN | Cyanide | 27.01 | 0.5675 | 1.46 | -0.357 | 1 | 0 | 23.79 | 0 | 0 | 2 | 0 |
Showing 1 to 6 of 6 entries
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