Component ID |
TCMH1453 |
Latin Name |
Ilex pubescens |
English Name |
Pubescent holly |
Chinese Pinyin Name |
Mao Dong Qing |
中文名 |
毛冬青 |
TCM Properties |
|
TCM Meridians |
|
Therapeutic Class English |
Blood activation and stasis removal |
Therapeutic Class Chinese |
活血化淤 |
Functions |
promote blood circulation remove stasis, dredge the channels and collaterals, clear heat and toxic materials, eliminate phlegm, and relieve cough and asthma |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
NA |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
ITSAN840-14 |
Barcode Source |
BOLDSYSTEMS |
Prescription ID | Prescription English Name | Prescription Chinese Name |
---|---|---|
TCMF6376 | Xiao Yan Ling Tablets | 消炎灵片 |
TCMF6575 | Xue Ya Ping Tablets | 血压平片 |
TCMF6822 | Xin Mai Tong Tablets | 心脉通片 |
TCMFx142 | Xue Shuan Xin Mo Ning Tablets | 血栓心脉宁片 |
TCMFx3828 | Bo Gu Decoction | 驳骨水 |
TCMFx384 | Xin Shu Ning Tablet | 心舒宁片 |
TCMFx4063 | Kang Feng Shi Oral Liquid | 抗风湿液 |
TCMFx4295 | Mao Dong Qing Capsules | 毛冬青胶囊 |
TCMFx4303 | Mao Dong Qing Zhu She Oral Liquid | 毛冬青注射液 |
TCMFx4403 | Jian Xin Tablets | 健心片 |
Target ID | Gene Symbol | Target Name | Target Class | Uniprot ID |
---|---|---|---|---|
TCMT101 | PTPN1 | Protein-tyrosine phosphatase 1B | Hydrolase | P18031 |
TCMT103 | PTPRF | Receptor-type tyrosine-protein phosphatase F (LAR) | Hydrolase | P10586 |
TCMT171 | PTPN6 | Protein-tyrosine phosphatase 1C | Hydrolase | P29350 |
TCMT174 | HSD11B1 | 11-beta-hydroxysteroid dehydrogenase 1 | Oxidoreductase | P28845 |
TCMT30 | PTGS2 | Cyclooxygenase-2 | Oxidoreductase | P35354 |
Target ID | Target Name |
---|---|
TCMT1107 | Protease |
TCMT1218 | Staphylococcus aureus |
TCMT1229 | Enterococcus faecalis |
TCMT1255 | Human immunodeficiency virus 1 |
TCMT1257 | Colletotrichum lagenarium |
Ingredient ID: TCMC943
Formula: C30H48O4
Common Name | Corosolic Acid |
IUPAC Name | (1S,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid |
Canonical SMILES | C[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)C[C@@H](O)[C@@H](C1(C)C)O)C(=O)O |
Standard InCHI | InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1 |
Standard InCHIKey | HFGSQOYIOKBQOW-ZSDYHTTISA-N |
External Identifiers | ChEMBL [CHEMBL391533]; PubChem [6918774]; |
Reference of Component-Ingredient Pair | N/A |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
TCMH1133 | Rosa laevigata | Jin Ying Zi | 金樱子 |
TCMH1134 | Rosa laevigata | Jin Ying Zi Rou | 金樱子肉 |
TCMH1135 | Rosa laevigata | Jin Ying Zi Ti Qu Ye | 金樱子提取液 |
TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
TCMH1333 | Clerodendron cyrtophyllum | Lu Bian Qing | 路边青 |
TCMH1431 | Vitex trifolia | Man Jing Ye | 蔓荆叶 |
TCMH1432 | Vitex trifolia | Man Jing Zi | 蔓荆子 |
TCMH1453 | Ilex pubescens | Mao Dong Qing | 毛冬青 |
Ingredient ID: TCMC618
Formula: C32H50O4
Common Name | Acetyl Oleanolic Acid |
IUPAC Name | (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-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)/t22-,23-,24+,25-,29-,30+,31+,32-/m0/s1 |
Standard InCHIKey | RIXNFYQZWDGQAE-DFHVBEEKSA-N |
External Identifiers | ChEMBL [CHEMBL486822]; PubChem [151202]; |
Reference of Component-Ingredient Pair | 16076639 |
Ingredient ID: TCMC1711
Formula: C42H30O9
Common Name | n.a. |
IUPAC Name | n.a. |
Canonical SMILES | Oc1cc2c3c(c1)O[C@H]([C@@H]3c1cc(O)cc3c1[C@@H](c1c4[C@H]2[C@H](Oc4cc(c1)O)c1ccc(cc1)O)[C@@H](O3)c1ccc(cc1)O)c1ccc(cc1)O |
Standard InCHI | InChI=1S/C42H30O9/c43-22-7-1-19(2-8-22)40-37-28-13-25(46)17-32-35(28)39(42(50-32)21-5-11-24(45)12-6-21)30-15-27(48)18-33-36(30)38(29-14-26(47)16-31(49-40)34(29)37)41(51-33)20-3-9-23(44)10-4-20/h1-18,37-48H/t37-,38-,39+,40+,41+,42-/m1/s1 |
Standard InCHIKey | KUTVNHOAKHJJFL-ZSIJVUTGSA-N |
External Identifiers | ChEMBL [CHEMBL443463]; PubChem [196402]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
TCMC1711 | C42H30O9 | 678.19 | -3.768 | 5.09 | 5.784 | 0 | 6 | 149.07 | 9 | 10 | 51 | 2 | |
TCMC618 | C32H50O4 | Acetyl Oleanolic Acid | 498.37 | 2.5089 | 4.54 | 9.792 | 4 | 1 | 63.6 | 12 | 5 | 36 | 1 |
TCMC943 | C30H48O4 | Corosolic Acid | 472.36 | 1.2611 | 4.32 | 8.142 | 4 | 3 | 77.76 | 11 | 5 | 34 | 1 |