Description of the Component
Component ID |
TCMH1575 |
Latin Name |
Bubalus bubalis |
English Name |
Buffalo horn |
Chinese Pinyin Name |
Niu Jiao Fen |
中文名 |
牛角粉 |
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 |
GBMA0080-06 |
Barcode Source |
BOLDSYSTEMS |
Targeted Human Proteins by the Ingredient of Component
| Target ID | Gene Symbol | Target Name | Target Class | Uniprot ID |
|---|---|---|---|---|
| TCMT1 | EHMT2 | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Transferase | Q96KQ7 |
| TCMT105 | SLC15A2 | Solute carrier family 15 member 2 | Transporter | Q16348 |
| TCMT11 | HIF1A | Hypoxia-inducible factor 1 alpha | Transcription factor | Q16665 |
| TCMT125 | GBA | Beta-glucocerebrosidase | Hydrolase | P04062 |
| TCMT13 | APEX1 | DNA-(apurinic or apyrimidinic site) lyase | Lyase | P27695 |
| TCMT150 | RORC | Nuclear receptor ROR-gamma | Nuclear receptor | P51449 |
| TCMT156 | CYP19A1 | Cytochrome P450 19A1 | Oxidoreductase | P11511 |
| TCMT162 | UGT1A1 | UDP-glucuronosyltransferase 1-1 | Transferase | P22309 |
| TCMT175 | GPBAR1 | G-protein coupled bile acid receptor 1 | GPCR | Q8TDU6 |
| TCMT187 | AR | Androgen Receptor | Nuclear receptor | P10275 |
Showing 1 to 10 of 46 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1170 | Enterobacter cloacae |
| TCMT1176 | Streptococcus pneumoniae |
| TCMT1177 | Haemophilus influenzae |
| TCMT1193 | Staphylococcus |
| TCMT1194 | Shigella sonnei |
| TCMT1195 | Streptococcus pasteurianus |
| TCMT1196 | Salmonella |
| TCMT1197 | Shigella sp. |
| TCMT1198 | Serratia marcescens |
| TCMT1218 | Staphylococcus aureus |
Showing 1 to 10 of 25 entries
Ingredient Structrues
Ingredient ID: TCMC953
Formula: C4H7N3O
Ingredient ID: TCMC953
| Common Name | Creatinine |
| IUPAC Name | 2-amino-3-methyl-4H-imidazol-5-one |
| Canonical SMILES | OC1=NC(=N)N(C1)C |
| Standard InCHI | InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8) |
| Standard InCHIKey | DDRJAANPRJIHGJ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL65567]; PubChem [588]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1263 | Cyprinus carpio | Li Yu | 鲤鱼 |
| TCMH1502 | Agaricus campestris | Mo Gu | 蘑菇 |
| TCMH1575 | Bubalus bubalis | Niu Jiao Fen | 牛角粉 |
| TCMH1576 | Bubalus bubalis | Niu Jiao Jian Fen | 牛角尖粉 |
| TCMH1577 | Bubalus bubalis | Niu Jiao Tan | 牛角炭 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1997 | Bubalus bubalis | Shui Niu Jiao | 水牛角 |
| TCMH1998 | Bubalus bubalis | Shui Niu Jiao Gan Jin Gao | 水牛角干浸膏 |
| TCMH1999 | Bubalus bubalis | Shui Niu Jiao Nong Suo Fen | 水牛角浓缩粉 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
Showing 1 to 10 of 11 entries
Ingredient ID: TCMC903
Formula: C24H40O5
Ingredient ID: TCMC903
| Common Name | Cholic Acid |
| IUPAC Name | (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
| Canonical SMILES | O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C |
| Standard InCHI | InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1 |
| Standard InCHIKey | BHQCQFFYRZLCQQ-OELDTZBJSA-N |
| External Identifiers | ChEMBL [CHEMBL205596]; PubChem [221493]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1575 | Bubalus bubalis | Niu Jiao Fen | 牛角粉 |
| TCMH1576 | Bubalus bubalis | Niu Jiao Jian Fen | 牛角尖粉 |
| TCMH1577 | Bubalus bubalis | Niu Jiao Tan | 牛角炭 |
| TCMH1716 | Calculus bovis artificiosus | Ren Gong Niu Huang | 人工牛黄 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1997 | Bubalus bubalis | Shui Niu Jiao | 水牛角 |
| TCMH1998 | Bubalus bubalis | Shui Niu Jiao Gan Jin Gao | 水牛角干浸膏 |
| TCMH1999 | Bubalus bubalis | Shui Niu Jiao Nong Suo Fen | 水牛角浓缩粉 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
Showing 1 to 9 of 9 entries
Ingredient ID: TCMC885
Formula: C16H17N3O4S
Ingredient ID: TCMC885
| Common Name | Cephalexin |
| IUPAC Name | (6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Canonical SMILES | N[C@@H](C(=N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C)O)c1ccccc1 |
| Standard InCHI | InChI=1S/C16H17N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1 |
| Standard InCHIKey | ZAIPMKNFIOOWCQ-UEKVPHQBSA-N |
| External Identifiers | ChEMBL [CHEMBL1727]; PubChem [27447]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1519 | Oroxylum indicum | Mu Hu Die | 木蝴蝶 |
| TCMH1575 | Bubalus bubalis | Niu Jiao Fen | 牛角粉 |
| TCMH1576 | Bubalus bubalis | Niu Jiao Jian Fen | 牛角尖粉 |
| TCMH1577 | Bubalus bubalis | Niu Jiao Tan | 牛角炭 |
| TCMH1997 | Bubalus bubalis | Shui Niu Jiao | 水牛角 |
| TCMH1998 | Bubalus bubalis | Shui Niu Jiao Gan Jin Gao | 水牛角干浸膏 |
| TCMH1999 | Bubalus bubalis | Shui Niu Jiao Nong Suo Fen | 水牛角浓缩粉 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC78
Formula: C11H20O6
Ingredient ID: TCMC78
| Common Name | (2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-(2-Methylbut-3-En-2-Yloxy)Oxane-3,4,5-Triol |
| IUPAC Name | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(2-methylbut-3-en-2-yloxy)oxane-3,4,5-triol |
| Canonical SMILES | OC[C@H]1O[C@@H](OC(C=C)(C)C)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C11H20O6/c1-4-11(2,3)17-10-9(15)8(14)7(13)6(5-12)16-10/h4,6-10,12-15H,1,5H2,2-3H3/t6-,7-,8+,9-,10+/m1/s1 |
| Standard InCHIKey | ZEGGZNOPAPRAIG-SPFKKGSWSA-N |
| External Identifiers | ChEMBL [CHEMBL1395434]; PubChem [5316128]; |
| Reference of Component-Ingredient Pair | 18545936 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH147 | Glehnia littoralis | Bei Sha Shen | 北沙参 |
| TCMH148 | Glehnia littoralis | Bei Sha Shen Liu Jin Gao | 北沙参流浸膏 |
| TCMH1502 | Agaricus campestris | Mo Gu | 蘑菇 |
| TCMH1575 | Bubalus bubalis | Niu Jiao Fen | 牛角粉 |
| TCMH1576 | Bubalus bubalis | Niu Jiao Jian Fen | 牛角尖粉 |
| TCMH1577 | Bubalus bubalis | Niu Jiao Tan | 牛角炭 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1997 | Bubalus bubalis | Shui Niu Jiao | 水牛角 |
| TCMH1998 | Bubalus bubalis | Shui Niu Jiao Gan Jin Gao | 水牛角干浸膏 |
| TCMH1999 | Bubalus bubalis | Shui Niu Jiao Nong Suo Fen | 水牛角浓缩粉 |
Showing 1 to 10 of 11 entries
Ingredient ID: TCMC453
Formula: C9H6O3
Ingredient ID: TCMC453
| Common Name | 3-Hydroxycoumarin |
| IUPAC Name | 3-hydroxychromen-2-one |
| Canonical SMILES | O=c1oc2ccccc2cc1O |
| Standard InCHI | InChI=1S/C9H6O3/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5,10H |
| Standard InCHIKey | MJKVTPMWOKAVMS-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL150372]; PubChem [13650]; |
| Reference of Component-Ingredient Pair | 22867432 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1575 | Bubalus bubalis | Niu Jiao Fen | 牛角粉 |
| TCMH1576 | Bubalus bubalis | Niu Jiao Jian Fen | 牛角尖粉 |
| TCMH1577 | Bubalus bubalis | Niu Jiao Tan | 牛角炭 |
| TCMH1792 | Morus alba | Sang Pi | 桑皮 |
| TCMH1797 | Morus alba | Sang Ye | 桑叶 |
| TCMH1798 | Morus alba | Sang Zhi | 桑枝 |
| TCMH1997 | Bubalus bubalis | Shui Niu Jiao | 水牛角 |
| TCMH1998 | Bubalus bubalis | Shui Niu Jiao Gan Jin Gao | 水牛角干浸膏 |
| TCMH1999 | Bubalus bubalis | Shui Niu Jiao Nong Suo Fen | 水牛角浓缩粉 |
Showing 1 to 9 of 9 entries
Ingredient ID: TCMC2011
Formula: C15H12I3NO4
Ingredient ID: TCMC2011
| Common Name | Reverse Triiodothyronine |
| IUPAC Name | (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3-iodophenyl]propanoic acid |
| Canonical SMILES | OC(=O)[C@H](Cc1ccc(c(c1)I)Oc1cc(I)c(c(c1)I)O)N |
| Standard InCHI | InChI=1S/C15H12I3NO4/c16-9-3-7(4-12(19)15(21)22)1-2-13(9)23-8-5-10(17)14(20)11(18)6-8/h1-3,5-6,12,20H,4,19H2,(H,21,22)/t12-/m0/s1 |
| Standard InCHIKey | HZCBWYNLGPIQRK-LBPRGKRZSA-N |
| External Identifiers | ChEMBL [CHEMBL1743304]; PubChem [644280]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1575 | Bubalus bubalis | Niu Jiao Fen | 牛角粉 |
| TCMH1576 | Bubalus bubalis | Niu Jiao Jian Fen | 牛角尖粉 |
| TCMH1577 | Bubalus bubalis | Niu Jiao Tan | 牛角炭 |
| TCMH1997 | Bubalus bubalis | Shui Niu Jiao | 水牛角 |
| TCMH1998 | Bubalus bubalis | Shui Niu Jiao Gan Jin Gao | 水牛角干浸膏 |
| TCMH1999 | Bubalus bubalis | Shui Niu Jiao Nong Suo Fen | 水牛角浓缩粉 |
Showing 1 to 6 of 6 entries
Ingredient ID: TCMC1997
Formula: C9H13NO3
Ingredient ID: TCMC1997
| Common Name | Racepinephrine |
| IUPAC Name | 4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol |
| Canonical SMILES | CNCC(c1ccc(c(c1)O)O)O |
| Standard InCHI | InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3 |
| Standard InCHIKey | UCTWMZQNUQWSLP-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1740]; PubChem [838]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1575 | Bubalus bubalis | Niu Jiao Fen | 牛角粉 |
| TCMH1576 | Bubalus bubalis | Niu Jiao Jian Fen | 牛角尖粉 |
| TCMH1577 | Bubalus bubalis | Niu Jiao Tan | 牛角炭 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1997 | Bubalus bubalis | Shui Niu Jiao | 水牛角 |
| TCMH1998 | Bubalus bubalis | Shui Niu Jiao Gan Jin Gao | 水牛角干浸膏 |
| TCMH1999 | Bubalus bubalis | Shui Niu Jiao Nong Suo Fen | 水牛角浓缩粉 |
| TCMH232 | Bufo melanostictus | Chan Chu | 蟾蜍 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH641 | Bufo melanostictus | Gan Chan | 干蟾 |
Showing 1 to 10 of 10 entries
Ingredient ID: TCMC1830
Formula: C16H32O2
Ingredient ID: TCMC1830
| 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 |
Occurrence of the ingredient across TCM components
| 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 |
Showing 1 to 10 of 274 entries
Ingredient ID: TCMC1797
Formula: C5H4N2O4
Ingredient ID: TCMC1797
| Common Name | Orotic Acid |
| IUPAC Name | 2,4-dioxo-1H-pyrimidine-6-carboxylic acid |
| Canonical SMILES | Oc1nc(O)nc(c1)C(=O)O |
| Standard InCHI | InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11) |
| Standard InCHIKey | PXQPEWDEAKTCGB-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1235017]; PubChem [967]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1575 | Bubalus bubalis | Niu Jiao Fen | 牛角粉 |
| TCMH1576 | Bubalus bubalis | Niu Jiao Jian Fen | 牛角尖粉 |
| TCMH1577 | Bubalus bubalis | Niu Jiao Tan | 牛角炭 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1997 | Bubalus bubalis | Shui Niu Jiao | 水牛角 |
| TCMH1998 | Bubalus bubalis | Shui Niu Jiao Gan Jin Gao | 水牛角干浸膏 |
| TCMH1999 | Bubalus bubalis | Shui Niu Jiao Nong Suo Fen | 水牛角浓缩粉 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC1758
Formula: C8H11NO3
Ingredient ID: TCMC1758
| Common Name | Norepinephrine |
| IUPAC Name | 4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol |
| Canonical SMILES | NC[C@@H](c1ccc(c(c1)O)O)O |
| Standard InCHI | InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1 |
| Standard InCHIKey | SFLSHLFXELFNJZ-QMMMGPOBSA-N |
| External Identifiers | ChEMBL [CHEMBL1437]; PubChem [439260]; |
| Reference of Component-Ingredient Pair | 25729574 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
| TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
| TCMH1575 | Bubalus bubalis | Niu Jiao Fen | 牛角粉 |
| TCMH1576 | Bubalus bubalis | Niu Jiao Jian Fen | 牛角尖粉 |
| TCMH1577 | Bubalus bubalis | Niu Jiao Tan | 牛角炭 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1997 | Bubalus bubalis | Shui Niu Jiao | 水牛角 |
| TCMH1998 | Bubalus bubalis | Shui Niu Jiao Gan Jin Gao | 水牛角干浸膏 |
| TCMH1999 | Bubalus bubalis | Shui Niu Jiao Nong Suo Fen | 水牛角浓缩粉 |
Showing 1 to 10 of 13 entries
Ingredient ID: TCMC1753
Formula: C18H21NO3
Ingredient ID: TCMC1753
| Common Name | Norarmepavine |
| IUPAC Name | 4-[[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenol |
| Canonical SMILES | COc1cc2[C@@H](NCCc2cc1OC)Cc1ccc(cc1)O |
| Standard InCHI | InChI=1S/C18H21NO3/c1-21-17-10-13-7-8-19-16(15(13)11-18(17)22-2)9-12-3-5-14(20)6-4-12/h3-6,10-11,16,19-20H,7-9H2,1-2H3/t16-/m0/s1 |
| Standard InCHIKey | NKBBUUNAVOMVER-INIZCTEOSA-N |
| External Identifiers | ChEMBL [CHEMBL453038]; PubChem [6999736]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
| TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
| TCMH1575 | Bubalus bubalis | Niu Jiao Fen | 牛角粉 |
| TCMH1576 | Bubalus bubalis | Niu Jiao Jian Fen | 牛角尖粉 |
| TCMH1577 | Bubalus bubalis | Niu Jiao Tan | 牛角炭 |
| TCMH1997 | Bubalus bubalis | Shui Niu Jiao | 水牛角 |
| TCMH1998 | Bubalus bubalis | Shui Niu Jiao Gan Jin Gao | 水牛角干浸膏 |
| TCMH1999 | Bubalus bubalis | Shui Niu Jiao Nong Suo Fen | 水牛角浓缩粉 |
| TCMH2268 | Musa paradisiaca var. sapientum | Xiang Jiao | 橡胶 |
| TCMH816 | Albizzia julibrissin | He Huan Pi | 合欢皮 |
Showing 1 to 10 of 10 entries
Ingredient ID: TCMC1504
Formula: C24H40O3
Ingredient ID: TCMC1504
| Common Name | Lithocholic Acid |
| IUPAC Name | (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
| Canonical SMILES | O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C |
| Standard InCHI | InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1 |
| Standard InCHIKey | SMEROWZSTRWXGI-HVATVPOCSA-N |
| External Identifiers | ChEMBL [CHEMBL1478]; PubChem [9903]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1575 | Bubalus bubalis | Niu Jiao Fen | 牛角粉 |
| TCMH1576 | Bubalus bubalis | Niu Jiao Jian Fen | 牛角尖粉 |
| TCMH1577 | Bubalus bubalis | Niu Jiao Tan | 牛角炭 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1997 | Bubalus bubalis | Shui Niu Jiao | 水牛角 |
| TCMH1998 | Bubalus bubalis | Shui Niu Jiao Gan Jin Gao | 水牛角干浸膏 |
| TCMH1999 | Bubalus bubalis | Shui Niu Jiao Nong Suo Fen | 水牛角浓缩粉 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC1498
Formula: C15H12I3NO4
Ingredient ID: TCMC1498
| Common Name | Liothyronine |
| IUPAC Name | (2S)-2-azaniumyl-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoate |
| Canonical SMILES | OC(=O)[C@H](Cc1cc(I)c(c(c1)I)Oc1ccc(c(c1)I)O)N |
| Standard InCHI | InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1 |
| Standard InCHIKey | AUYYCJSJGJYCDS-LBPRGKRZSA-N |
| External Identifiers | ChEMBL [CHEMBL1544]; PubChem [7048703]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1575 | Bubalus bubalis | Niu Jiao Fen | 牛角粉 |
| TCMH1576 | Bubalus bubalis | Niu Jiao Jian Fen | 牛角尖粉 |
| TCMH1577 | Bubalus bubalis | Niu Jiao Tan | 牛角炭 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1997 | Bubalus bubalis | Shui Niu Jiao | 水牛角 |
| TCMH1998 | Bubalus bubalis | Shui Niu Jiao Gan Jin Gao | 水牛角干浸膏 |
| TCMH1999 | Bubalus bubalis | Shui Niu Jiao Nong Suo Fen | 水牛角浓缩粉 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC1477
Formula: C15H11I4NO4
Ingredient ID: TCMC1477
| Common Name | Levothyroxine |
| IUPAC Name | (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid |
| Canonical SMILES | OC(=O)[C@H](Cc1cc(I)c(c(c1)I)Oc1cc(I)c(c(c1)I)O)N |
| Standard InCHI | InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1 |
| Standard InCHIKey | XUIIKFGFIJCVMT-LBPRGKRZSA-N |
| External Identifiers | ChEMBL [CHEMBL1624]; PubChem [5819]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1575 | Bubalus bubalis | Niu Jiao Fen | 牛角粉 |
| TCMH1576 | Bubalus bubalis | Niu Jiao Jian Fen | 牛角尖粉 |
| TCMH1577 | Bubalus bubalis | Niu Jiao Tan | 牛角炭 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH1997 | Bubalus bubalis | Shui Niu Jiao | 水牛角 |
| TCMH1998 | Bubalus bubalis | Shui Niu Jiao Gan Jin Gao | 水牛角干浸膏 |
| TCMH1999 | Bubalus bubalis | Shui Niu Jiao Nong Suo Fen | 水牛角浓缩粉 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC1459
Formula: C3H7NO2
Ingredient ID: TCMC1459
| Common Name | L-Alanine |
| IUPAC Name | (2S)-2-aminopropanoic acid |
| Canonical SMILES | C[C@@H](C(=O)O)N |
| Standard InCHI | InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1 |
| Standard InCHIKey | QNAYBMKLOCPYGJ-REOHCLBHSA-N |
| External Identifiers | ChEMBL [CHEMBL279597]; PubChem [5950]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
| TCMH1294 | Cornu saigae tataricae | Ling Yang Jiao | 羚羊角 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
Showing 1 to 10 of 48 entries
Ingredient ID: TCMC138
Formula: C21H30O4
Ingredient ID: TCMC138
| Common Name | (8S,10R,11S,13S,14S,17S)-11-Hydroxy-17-(2-Hydroxyacetyl)-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-One |
| IUPAC Name | (8S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
| Canonical SMILES | OCC(=O)[C@H]1CC[C@@H]2[C@]1(C)C[C@H](O)C1[C@H]2CCC2=CC(=O)CC[C@]12C |
| Standard InCHI | InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19?,20-,21-/m0/s1 |
| Standard InCHIKey | OMFXVFTZEKFJBZ-KRGAXNBZSA-N |
| External Identifiers | ChEMBL [CHEMBL1513569]; PubChem [16758819]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1575 | Bubalus bubalis | Niu Jiao Fen | 牛角粉 |
| TCMH1576 | Bubalus bubalis | Niu Jiao Jian Fen | 牛角尖粉 |
| TCMH1577 | Bubalus bubalis | Niu Jiao Tan | 牛角炭 |
| TCMH1997 | Bubalus bubalis | Shui Niu Jiao | 水牛角 |
| TCMH1998 | Bubalus bubalis | Shui Niu Jiao Gan Jin Gao | 水牛角干浸膏 |
| TCMH1999 | Bubalus bubalis | Shui Niu Jiao Nong Suo Fen | 水牛角浓缩粉 |
Showing 1 to 6 of 6 entries
Ingredient ID: TCMC1209
Formula: C4H9NO2
Ingredient ID: TCMC1209
| Common Name | Gamma-Aminobutyric Acid |
| IUPAC Name | 4-aminobutanoic acid |
| Canonical SMILES | NCCCC(=O)O |
| Standard InCHI | InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7) |
| Standard InCHIKey | BTCSSZJGUNDROE-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL96]; PubChem [119]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH126 | Isatis indigotica | Ban Lan | 板蓝 |
| TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH1510 | Isatis indigotica | Mu Ban Lan Gen | 木板蓝根 |
| TCMH1512 | Isatis indigotica | Mu Da Qing Ye | 木大青叶 |
| TCMH1575 | Bubalus bubalis | Niu Jiao Fen | 牛角粉 |
Showing 1 to 10 of 58 entries
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1209 | C4H9NO2 | Gamma-Aminobutyric Acid | 103.06 | -1.2313 | 1.57 | -0.668 | 3 | 2 | 63.32 | 5 | 0 | 7 | 0 |
| TCMC138 | C21H30O4 | (8S,10R,11S,13S,14S,17S)-11-Hydroxy-17-(2-Hydroxyacetyl)-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-One | 346.21 | -0.5211 | 3.33 | 1.704 | 4 | 2 | 74.6 | 6 | 4 | 25 | 0 |
| TCMC1459 | C3H7NO2 | L-Alanine | 89.05 | -1.0955 | 1.46 | -2.824 | 3 | 2 | 63.32 | 4 | 0 | 6 | 0 |
| TCMC1477 | C15H11I4NO4 | Levothyroxine | 776.69 | 3.9816 | 2.12 | 2.847 | 3 | 3 | 92.78 | 12 | 2 | 24 | 0 |
| TCMC1498 | C15H12I3NO4 | Liothyronine | 650.79 | 2.5615 | 2.23 | 2.213 | 3 | 3 | 92.78 | 11 | 2 | 23 | 0 |
| TCMC1504 | C24H40O3 | Lithocholic Acid | 376.3 | 0.873 | 3.77 | 8.263 | 3 | 2 | 57.53 | 9 | 4 | 27 | 1 |
| TCMC1753 | C18H21NO3 | Norarmepavine | 299.15 | -0.7051 | 3 | 2.755 | 1 | 2 | 50.72 | 7 | 3 | 22 | 0 |
| TCMC1758 | C8H11NO3 | Norepinephrine | 169.07 | -2.1696 | 1.9 | -0.46 | 2 | 4 | 86.71 | 6 | 1 | 12 | 0 |
| TCMC1797 | C5H4N2O4 | Orotic Acid | 156.02 | -1.1604 | 1.35 | -0.837 | 4 | 3 | 103.54 | 4 | 1 | 11 | 0 |
| TCMC1830 | C16H32O2 | Palmitic Acid | 256.24 | -3.8977 | 3 | 7.57 | 2 | 1 | 37.3 | 16 | 0 | 18 | 2 |
Showing 1 to 10 of 17 entries
Download Data
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