Component ID |
TCMH1457 |
Latin Name |
Fructus terminaliae billericae |
English Name |
friot of belleric terminalia |
Chinese Pinyin Name |
Mao He Zi |
中文名 |
毛诃子 |
TCM Properties |
Mild,Sweet,Punkery |
TCM Meridians |
|
Therapeutic Class English |
|
Therapeutic Class Chinese |
|
Functions |
remove toxic heat, arrest discharges, nourish blood, and coordinate the actions of various ingredients in a prescription |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
Tibet |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
|
Barcode Source |
Prescription ID | Prescription English Name | Prescription Chinese Name |
---|---|---|
TCMF1445 | Ershiwuwei Zhenzhu Pills | 二十五味珍珠丸 |
TCMF2625 | Ershiwuwei Zhenzhu Pills | 二十五味珍珠丸 |
TCMFx1290 | Renqing Mangjue Pills | 仁青芒觉 |
TCMFx1314 | Cuitang Pills | 催汤丸 |
TCMFx1922 | Renqing Mangjue Pills | 仁青芒觉 |
TCMFx2026 | Cuitang Pills | 催汤丸 |
TCMFx7083 | Bai Xuan Xia Ta Re Capsules | 百癣夏塔热胶囊 |
Target ID | Gene Symbol | Target Name | Target Class | Uniprot ID |
---|---|---|---|---|
TCMT1 | EHMT2 | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Transferase | Q96KQ7 |
TCMT156 | CYP19A1 | Cytochrome P450 19A1 | Oxidoreductase | P11511 |
TCMT191 | STAT3 | Signal transducer and activator of transcription 3 | Transcription factor | P40763 |
TCMT276 | SLCO2B1 | Solute carrier organic anion transporter family member 2B1 | Transporter | O94956 |
TCMT277 | SLCO1B3 | Solute carrier organic anion transporter family member 1B3 | Transporter | Q9NPD5 |
TCMT278 | SLCO1B1 | Solute carrier organic anion transporter family member 1B1 | Transporter | Q9Y6L6 |
TCMT286 | KLF5 | Kruppel-like factor 5 | Unclassified | Q13887 |
TCMT297 | FABP4 | Fatty acid binding protein adipocyte | Unclassified | P15090 |
TCMT298 | FABP3 | Fatty acid binding protein muscle | Hydrolase | P05413 |
TCMT63 | PPARA | Peroxisome proliferator-activated receptor alpha | Nuclear receptor | Q07869 |
Target ID | Target Name |
---|---|
TCMT1109 | Reverse transcriptase |
TCMT1218 | Staphylococcus aureus |
TCMT1361 | Neisseria meningitidis |
TCMT1382 | Plasmodium falciparum (isolate K1 / Thailand) |
TCMT1438 | Plasmodium falciparum |
TCMT1442 | Leishmania donovani |
Ingredient ID: TCMC2800
Formula: C19H20O3
Common Name | Termilignan |
IUPAC Name | 2-[3-[(4-hydroxyphenyl)methyl]-2-methylidenebut-3-enyl]-5-methoxyphenol |
Canonical SMILES | COc1ccc(c(c1)O)CC(=C)C(=C)Cc1ccc(cc1)O |
Standard InCHI | InChI=1S/C19H20O3/c1-13(10-15-4-7-17(20)8-5-15)14(2)11-16-6-9-18(22-3)12-19(16)21/h4-9,12,20-21H,1-2,10-11H2,3H3 |
Standard InCHIKey | JFMRBOFPBJLBBF-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL444201]; PubChem [466076]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC2261
Formula: C18H18O2
Common Name | Anolignan B |
IUPAC Name | 4-[3-[(4-hydroxyphenyl)methyl]-2-methylidenebut-3-enyl]phenol |
Canonical SMILES | C=C(C(=C)Cc1ccc(cc1)O)Cc1ccc(cc1)O |
Standard InCHI | InChI=1S/C18H18O2/c1-13(11-15-3-7-17(19)8-4-15)14(2)12-16-5-9-18(20)10-6-16/h3-10,19-20H,1-2,11-12H2 |
Standard InCHIKey | VVKZAZVVUAFFGF-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL456870]; PubChem [72388]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC1830
Formula: C16H32O2
Common Name | Palmitic Acid |
IUPAC Name | hexadecanoic acid |
Canonical SMILES | CCCCCCCCCCCCCCCC(=O)O |
Standard InCHI | InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18) |
Standard InCHIKey | IPCSVZSSVZVIGE-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL82293]; PubChem [985]; |
Reference of Component-Ingredient Pair | 29968805 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
TCMH1022 | Celosia cristata | Ji Guan Hua | 鸡冠花 |
TCMH1029 | Paederia scandens | Ji Shi Teng | 鸡矢藤 |
TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
Ingredient ID: TCMC1804
Formula: C29H44O12
Common Name | Ouabain |
IUPAC Name | 3-[(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one |
Canonical SMILES | OC[C@@]12[C@H](O)C[C@@H](C[C@@]2(O)CC[C@@H]2[C@@H]1[C@H](O)C[C@]1([C@]2(O)CC[C@@H]1C1=CC(=O)OC1)C)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O |
Standard InCHI | InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1 |
Standard InCHIKey | LPMXVESGRSUGHW-HBYQJFLCSA-N |
External Identifiers | ChEMBL [CHEMBL222863]; PubChem [439501]; |
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
TCMC1804 | C29H44O12 | Ouabain | 584.28 | -4.1486 | 3.33 | -0.808 | 12 | 8 | 206.6 | 14 | 6 | 41 | 2 |
TCMC1830 | C16H32O2 | Palmitic Acid | 256.24 | -3.8977 | 3 | 7.57 | 2 | 1 | 37.3 | 16 | 0 | 18 | 2 |
TCMC2261 | C18H18O2 | Anolignan B | 266.13 | 1.0156 | 3.22 | 5.446 | 0 | 2 | 40.46 | 7 | 2 | 20 | 1 |
TCMC2800 | C19H20O3 | Termilignan | 296.14 | 0.9638 | 3.22 | 4.58 | 0 | 2 | 49.69 | 9 | 2 | 22 | 0 |