Component ID |
TCMH168 |
Latin Name |
Ricinus communis |
English Name |
Castorbean seed |
Chinese Pinyin Name |
Bi Ma Zi |
中文名 |
蓖麻子 |
TCM Properties |
Mild,Pungent,Sweet |
TCM Meridians |
Lung,Large Intestine |
Therapeutic Class English |
Toxication reduction, anthelmintic, dampness removal, and itching control |
Therapeutic Class Chinese |
解毒杀虫燥湿止痒 |
Functions |
induce subsidence of swelling and remove toxic substances, cause purgation |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
NA |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
ITSAB3015-14 |
Barcode Source |
BOLDSYSTEMS |
Prescription ID | Prescription English Name | Prescription Chinese Name |
---|---|---|
TCMF5332 | Wan Ling Jin Gu Ointment | 万灵筋骨膏 |
TCMFx2990 | Bai Hua She Ointment | 白花蛇膏 |
TCMFx3001 | Ba Du Ointment | 拔毒膏 |
TCMFx3330 | Feng Shang Zhi Tong Ointment | 风伤止痛膏 |
TCMFx3418 | Die Da Wan Hua You | 跌打万花油 |
TCMFx3743 | Du Ji Du Jiao Ointment | 杜记独角膏 |
TCMFx4678 | Nao Sha Ointment | 硇砂膏 |
TCMFx5265 | Quan Ji Ba Du Ointment | 全鸡拔毒膏 |
TCMFx5694 | Shang Ke Wan Hua You | 伤科万花油 |
TCMFx5798 | Run Ji Pi Fu Ointment | 润肌皮肤膏 |
Target ID | Gene Symbol | Target Name | Target Class | Uniprot ID |
---|---|---|---|---|
TCMT160 | HTR7 | Serotonin 7 (5-HT7) receptor | GPCR | P34969 |
TCMT2 | MAPT | Microtubule-associated protein tau | Unclassified | P10636 |
TCMT289 | TBXAS1 | Thromboxane-A synthase | Isomerase | P24557 |
TCMT33 | CYP3A4 | Cytochrome P450 3A4 | Oxidoreductase | P08684 |
TCMT41 | IDH1 | Isocitrate dehydrogenase [NADP] cytoplasmic | Oxidoreductase | O75874 |
TCMT87 | CYP2C9 | Cytochrome P450 2C9 | Oxidoreductase | P11712 |
Target ID | Target Name |
---|---|
TCMT1255 | Human immunodeficiency virus 1 |
TCMT1294 | Human parainfluenza virus 3 |
TCMT1463 | Mycobacterium tuberculosis |
Ingredient ID: TCMC5886
Formula: C27H22O18
Common Name | Corilagin |
IUPAC Name | [(1R,19R,21S,22R,23R)-6,7,8,11,12,13,22,23-octahydroxy-3,16-dioxo-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-21-yl] 3,4,5-trihydroxybenzoate |
Canonical SMILES | O[C@@H]1[C@H]2COC(=O)c3cc(O)c(c(c3c3c(C(=O)O[C@H]1[C@H]([C@@H](O2)OC(=O)c1cc(O)c(c(c1)O)O)O)cc(O)c(c3O)O)O)O |
Standard InCHI | InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(39)45-27-22(38)23-19(35)13(43-27)5-42-25(40)7-3-11(30)17(33)20(36)14(7)15-8(26(41)44-23)4-12(31)18(34)21(15)37/h1-4,13,19,22-23,27-38H,5H2/t13-,19-,22-,23-,27+/m1/s1 |
Standard InCHIKey | TUSDEZXZIZRFGC-ORQNFNANSA-N |
External Identifiers | ChEMBL [N/A]; PubChem [12303949]; |
Reference of Component-Ingredient Pair | 12516452 |
Ingredient ID: TCMC4480
Formula: C20H32
Common Name | Cosbene |
IUPAC Name | (1R,2E,6E,10E,14S)-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-2,6,10-triene |
Canonical SMILES | C/C/1=CCC/C(=C/CC/C(=C/[C@@H]2[C@H](CC1)C2(C)C)/C)/C |
Standard InCHI | InChI=1S/C20H32/c1-15-8-6-10-16(2)12-13-18-19(20(18,4)5)14-17(3)11-7-9-15/h9-10,14,18-19H,6-8,11-13H2,1-5H3/b15-9+,16-10+,17-14+/t18-,19+/m0/s1 |
Standard InCHIKey | ZJMVJDFTNPZVMB-UNUVTCOTSA-N |
External Identifiers | ChEMBL [N/A]; PubChem [5316105]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC4130
Formula: C18H34O3
Common Name | Ricinoleic Acid |
IUPAC Name | (Z,12R)-12-hydroxyoctadec-9-enoic acid |
Canonical SMILES | CCCCCC[C@H](C/C=CCCCCCCCC(=O)[O-])O |
Standard InCHI | InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/p-1/b12-9-/t17-/m1/s1 |
Standard InCHIKey | WBHHMMIMDMUBKC-QJWNTBNXSA-M |
External Identifiers | ChEMBL [CHEMBL3186422]; PubChem [643684]; |
Reference of Component-Ingredient Pair | 23820557 |
Ingredient ID: TCMC3830
Formula: C18H36O4
Common Name | 9,10-Dihydroxystearic Acid |
IUPAC Name | (9S,10R)-9,10-dihydroxyoctadecanoic acid |
Canonical SMILES | CCCCCCCC[C@H]([C@H](CCCCCCCC(=O)[O-])O)O |
Standard InCHI | InChI=1S/C18H36O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)/p-1/t16-,17+/m1/s1 |
Standard InCHIKey | VACHUYIREGFMSP-SJORKVTESA-M |
External Identifiers | ChEMBL [N/A]; PubChem [441460]; |
Reference of Component-Ingredient Pair | 29968805 |
Ingredient ID: TCMC3005
Formula: C8H14O4
Common Name | Suberic Acid |
IUPAC Name | octanedioic acid |
Canonical SMILES | [O-]C(=O)CCCCCCC(=O)[O-] |
Standard InCHI | InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)/p-2 |
Standard InCHIKey | TYFQFVWCELRYAO-UHFFFAOYSA-L |
External Identifiers | ChEMBL [CHEMBL1162491]; PubChem [10457]; |
Reference of Component-Ingredient Pair | 21494577 |
Ingredient ID: TCMC2879
Formula: C10H18O4
Common Name | Sebacic Acid |
IUPAC Name | decanedioic acid |
Canonical SMILES | [O-]C(=O)CCCCCCCCC(=O)[O-] |
Standard InCHI | InChI=1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14)/p-2 |
Standard InCHIKey | CXMXRPHRNRROMY-UHFFFAOYSA-L |
External Identifiers | ChEMBL [CHEMBL1232164]; PubChem [5192]; |
Reference of Component-Ingredient Pair | 21900319 |
Ingredient ID: TCMC2841
Formula: C7H12O4
Common Name | Dimelic Acid |
IUPAC Name | heptanedioic acid |
Canonical SMILES | [O-]C(=O)CCCCCC(=O)[O-] |
Standard InCHI | InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11)/p-2 |
Standard InCHIKey | WLJVNTCWHIRURA-UHFFFAOYSA-L |
External Identifiers | ChEMBL [CHEMBL1235351]; PubChem [385]; |
Reference of Component-Ingredient Pair | 22675387 |
Ingredient ID: TCMC2670
Formula: C15H26O2
Common Name | 5-Epi-Eudesm-4(15)-Ene-1Beta,6Beta-Diol |
IUPAC Name | (1R,2R,4aR,5R,8aR)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,5-diol |
Canonical SMILES | C=C1CC[C@H]([C@]2([C@@H]1[C@H](O)[C@H](CC2)C(C)C)C)O |
Standard InCHI | InChI=1S/C15H26O2/c1-9(2)11-7-8-15(4)12(16)6-5-10(3)13(15)14(11)17/h9,11-14,16-17H,3,5-8H2,1-2,4H3/t11-,12-,13+,14-,15+/m1/s1 |
Standard InCHIKey | WKKJGHCXVKEJNU-QMIVOQANSA-N |
External Identifiers | ChEMBL [CHEMBL461400]; PubChem [11746695]; |
Reference of Component-Ingredient Pair | N/A |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1455 | Ranunculus japonicus | Mao Gen | 茅根 |
TCMH1609 | Eupatorium fortunei | Pei Lan | 佩兰 |
TCMH165 | Ricinus communis | Bi Ma | 蓖麻 |
TCMH166 | Ricinus communis | Bi Ma Gen | 蓖麻根 |
TCMH167 | Ricinus communis | Bi Ma Ren | 蓖麻仁 |
TCMH168 | Ricinus communis | Bi Ma Zi | 蓖麻子 |
TCMH2606 | Lysimachia clethroides | Zhen Zhu Cai | 珍珠菜 |
Ingredient ID: TCMC2107
Formula: C29H48O
Common Name | Stigmasterol |
IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-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-PHZDYDNGSA-N |
External Identifiers | ChEMBL [CHEMBL400247]; PubChem [5280794]; |
Reference of Component-Ingredient Pair | 16261518 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
TCMH1022 | Celosia cristata | Ji Guan Hua | 鸡冠花 |
TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
TCMH1045 | Piper sarmentosum | Jia Ju | 假蒟 |
TCMH1051 | Piper sarmentosum | Jia 蒟ye | 假蒟叶 |
TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
Ingredient ID: TCMC2017
Formula: C8H8N2O2
Common Name | Ricinine |
IUPAC Name | 4-methoxy-1-methyl-2-oxopyridine-3-carbonitrile |
Canonical SMILES | N#Cc1c(OC)ccn(c1=O)C |
Standard InCHI | InChI=1S/C8H8N2O2/c1-10-4-3-7(12-2)6(5-9)8(10)11/h3-4H,1-2H3 |
Standard InCHIKey | PETSAYFQSGAEQY-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL1329957]; PubChem [10666]; |
Reference of Component-Ingredient Pair | 22303684 |
Ingredient ID: TCMC1972
Formula: C5H5N
Common Name | Pyridine |
IUPAC Name | pyridine |
Canonical SMILES | c1cccnc1 |
Standard InCHI | InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H |
Standard InCHIKey | JUJWROOIHBZHMG-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL266158]; PubChem [1049]; |
Reference of Component-Ingredient Pair | N/A |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
TCMH165 | Ricinus communis | Bi Ma | 蓖麻 |
TCMH166 | Ricinus communis | Bi Ma Gen | 蓖麻根 |
TCMH167 | Ricinus communis | Bi Ma Ren | 蓖麻仁 |
TCMH168 | Ricinus communis | Bi Ma Zi | 蓖麻子 |
TCMH1714 | Lonicera japonica | Ren Dong Teng | 忍冬藤 |
TCMH1721 | Panax ginseng | Ren Shen | 人参 |
TCMH1728 | Panax ginseng | Ren Shen Ye | 人参叶 |
TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
Ingredient ID: TCMC1151
Formula: C15H12O8
Common Name | Ethylbrevifolin Carboxylate |
IUPAC Name | ethyl 7,8,9-trihydroxy-3,5-dioxo-1,2-dihydrocyclopenta[c]isochromene-1-carboxylate |
Canonical SMILES | CCOC(=O)C1CC(=O)c2c1c1c(O)c(O)c(cc1c(=O)o2)O |
Standard InCHI | InChI=1S/C15H12O8/c1-2-22-14(20)6-4-8(17)13-10(6)9-5(15(21)23-13)3-7(16)11(18)12(9)19/h3,6,16,18-19H,2,4H2,1H3 |
Standard InCHIKey | JSEPSLOCPQODTM-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL567077]; PubChem [5487248]; |
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
TCMC1151 | C15H12O8 | Ethylbrevifolin Carboxylate | 320.05 | -1.7587 | 2.23 | -0.497 | 5 | 3 | 130.36 | 7 | 3 | 23 | 0 |
TCMC1972 | C5H5N | Pyridine | 79.04 | 0 | 1.9 | 1.4 | 1 | 0 | 12.89 | 0 | 1 | 6 | 0 |
TCMC2017 | C8H8N2O2 | Ricinine | 164.06 | -0.7774 | 1.9 | -0.09 | 4 | 0 | 53.33 | 3 | 1 | 12 | 0 |
TCMC2107 | C29H48O | Stigmasterol | 412.37 | 1.2566 | 4.54 | 11.071 | 1 | 1 | 20.23 | 12 | 4 | 30 | 1 |
TCMC2670 | C15H26O2 | 5-Epi-Eudesm-4(15)-Ene-1Beta,6Beta-Diol | 238.19 | -0.009 | 2.89 | 2.414 | 2 | 2 | 40.46 | 6 | 2 | 17 | 0 |
TCMC2841 | C7H12O4 | Dimelic Acid | 158.0579088 | -2.6296 | 1.79 | -0.387 | 4 | 0 | 80.26 | 6 | 0 | 11 | 0 |
TCMC2879 | C10H18O4 | Sebacic Acid | 200.104859 | -3.4936 | 2.12 | 1.32 | 4 | 0 | 80.26 | 9 | 0 | 14 | 0 |
TCMC3005 | C8H14O4 | Suberic Acid | 172.0735589 | -2.9176 | 1.9 | 0.182 | 4 | 0 | 80.26 | 7 | 0 | 12 | 0 |
TCMC3830 | C18H36O4 | 9,10-Dihydroxystearic Acid | 315.2535346 | -5.5969 | 3 | 4.901 | 4 | 2 | 80.59 | 16 | 0 | 22 | 1 |
TCMC4130 | C18H34O3 | Ricinoleic Acid | 297.2429699 | -3.2432 | 3.11 | 5.626 | 3 | 1 | 60.36 | 15 | 0 | 21 | 2 |