Description of the Component
Component ID |
TCMH1538 |
Latin Name |
Baphicacanthus cusia |
English Name |
Indigowoad root |
Chinese Pinyin Name |
Nan Ban Lan Gen Jin Gao Fen |
中文名 |
南板蓝根浸膏粉 |
TCM Properties |
|
TCM Meridians |
|
Therapeutic Class English |
|
Therapeutic Class Chinese |
|
Functions |
|
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
NA |
Reference |
CFDA |
Barcode ID |
ITSAM1599-14 |
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 |
| TCMT11 | HIF1A | Hypoxia-inducible factor 1 alpha | Transcription factor | Q16665 |
| TCMT125 | GBA | Beta-glucocerebrosidase | Hydrolase | P04062 |
| TCMT126 | TERT | Telomerase reverse transcriptase | Transferase | O14746 |
| TCMT13 | APEX1 | DNA-(apurinic or apyrimidinic site) lyase | Lyase | P27695 |
| TCMT130 | ALOX5 | Arachidonate 5-lipoxygenase | Oxidoreductase | P09917 |
| TCMT131 | ACHE | Acetylcholinesterase | Hydrolase | P22303 |
| TCMT132 | BCHE | Butyrylcholinesterase | Hydrolase | P06276 |
| TCMT133 | CA1 | Carbonic anhydrase I | Lyase | P00915 |
| TCMT134 | CA2 | Carbonic anhydrase II | Lyase | P00918 |
Showing 1 to 10 of 79 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1090 | Human immunodeficiency virus type 1 integrase |
| TCMT1092 | Fatty acid synthase |
| TCMT1099 | Neuraminidase |
| TCMT1136 | Neuraminidase |
| TCMT1176 | Streptococcus pneumoniae |
| TCMT1178 | Actinomyces viscosus |
| TCMT1181 | Mycobacterium tuberculosis H37Ra |
| TCMT1218 | Staphylococcus aureus |
| TCMT1221 | Human herpesvirus 4 |
| TCMT1226 | Klebsiella pneumoniae |
Showing 1 to 10 of 25 entries
Ingredient Structrues
Ingredient ID: TCMC983
Formula: C15H10O4
Ingredient ID: TCMC983
| Common Name | Daidzein |
| IUPAC Name | 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one |
| Canonical SMILES | Oc1ccc(cc1)c1coc2c(c1=O)ccc(c2)O |
| Standard InCHI | InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H |
| Standard InCHIKey | ZQSIJRDFPHDXIC-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL8145]; PubChem [5281708]; |
| Reference of Component-Ingredient Pair | 29217487 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1036 | Spatholobus suberectus | Ji Xue Teng | 鸡血藤 |
| TCMH1037 | Spatholobus suberectus | Ji Xue Teng Gan Gao | 鸡血藤干膏 |
| TCMH1038 | Spatholobus suberectus | Ji Xue Teng Gao | 鸡血藤膏 |
| TCMH1059 | Glycine max | Jiang | 姜 |
| TCMH1062 | Glycine max | Jiang Gao | 姜膏 |
| TCMH1067 | Glycine max | Jiang Tan | 姜炭 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
| TCMH1212 | Melia azedarach | Ku Lian Zi | 苦楝子 |
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
Showing 1 to 10 of 44 entries
Ingredient ID: TCMC860
Formula: C23H13N3O2
Ingredient ID: TCMC860
| Common Name | Candidine |
| IUPAC Name | (6Z)-6-(3-oxo-1H-indol-2-ylidene)indolo[2,1-b]quinazolin-12-one |
| Canonical SMILES | O=C1c2ccccc2N/C/1=c/1c2nc3ccccc3c(=O)n2c2c1cccc2 |
| Standard InCHI | InChI=1S/C23H13N3O2/c27-21-13-7-1-4-10-16(13)24-20(21)19-15-9-3-6-12-18(15)26-22(19)25-17-11-5-2-8-14(17)23(26)28/h1-12,24H/b20-19- |
| Standard InCHIKey | DXENDDMPDZMHSQ-VXPUYCOJSA-N |
| External Identifiers | ChEMBL [CHEMBL503442]; PubChem [5320815]; |
| Reference of Component-Ingredient Pair | 3839621 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH126 | Isatis indigotica | Ban Lan | 板蓝 |
| TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
| TCMH1510 | Isatis indigotica | Mu Ban Lan Gen | 木板蓝根 |
| TCMH1512 | Isatis indigotica | Mu Da Qing Ye | 木大青叶 |
| TCMH1537 | Baphicacanthus cusia | Nan Ban Lan Gen | 南板蓝根 |
| TCMH1538 | Baphicacanthus cusia | Nan Ban Lan Gen Jin Gao Fen | 南板蓝根浸膏粉 |
| TCMH381 | Isatis indigotica | Da Qing Ye | 大青叶 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC855
Formula: C16H12O5
Ingredient ID: TCMC855
| Common Name | Calycosin |
| IUPAC Name | 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)chromen-4-one |
| Canonical SMILES | COc1ccc(cc1O)c1coc2c(c1=O)ccc(c2)O |
| Standard InCHI | InChI=1S/C16H12O5/c1-20-14-5-2-9(6-13(14)18)12-8-21-15-7-10(17)3-4-11(15)16(12)19/h2-8,17-18H,1H3 |
| Standard InCHIKey | ZZAJQOPSWWVMBI-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL241608]; PubChem [5280448]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1036 | Spatholobus suberectus | Ji Xue Teng | 鸡血藤 |
| TCMH1037 | Spatholobus suberectus | Ji Xue Teng Gan Gao | 鸡血藤干膏 |
| TCMH1038 | Spatholobus suberectus | Ji Xue Teng Gao | 鸡血藤膏 |
| TCMH1215 | Sophora flavescens | Ku Shen | 苦参 |
| TCMH1398 | Ephedra sinica | Ma Huang | 麻黄 |
| TCMH1399 | Ephedra sinica | Ma Huang Gao | 麻黄膏 |
| TCMH1400 | Ephedra sinica | Ma Huang Gen | 麻黄根 |
| TCMH1401 | Ephedra sinica | Ma Huang Jin Gao | 麻黄浸膏 |
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
| TCMH1486 | Ephedra sinica | Mi Ma Huang | 蜜麻黄 |
Showing 1 to 10 of 41 entries
Ingredient ID: TCMC811
Formula: C16H12O5
Ingredient ID: TCMC811
| Common Name | Biochanin |
| IUPAC Name | 5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one |
| Canonical SMILES | COc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)O |
| Standard InCHI | InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3 |
| Standard InCHIKey | WUADCCWRTIWANL-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL131921]; PubChem [5280373]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1215 | Sophora flavescens | Ku Shen | 苦参 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1398 | Ephedra sinica | Ma Huang | 麻黄 |
| TCMH1399 | Ephedra sinica | Ma Huang Gao | 麻黄膏 |
| TCMH1400 | Ephedra sinica | Ma Huang Gen | 麻黄根 |
| TCMH1401 | Ephedra sinica | Ma Huang Jin Gao | 麻黄浸膏 |
| TCMH1486 | Ephedra sinica | Mi Ma Huang | 蜜麻黄 |
| TCMH1537 | Baphicacanthus cusia | Nan Ban Lan Gen | 南板蓝根 |
Showing 1 to 10 of 24 entries
Ingredient ID: TCMC804
Formula: C30H48O3
Ingredient ID: TCMC804
| Common Name | Betulinic Acid |
| IUPAC Name | (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid |
| Canonical SMILES | CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]1CC[C@H]3[C@@]([C@]1(C)CC2)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C(=O)O |
| Standard InCHI | InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1 |
| Standard InCHIKey | QGJZLNKBHJESQX-FZFNOLFKSA-N |
| External Identifiers | ChEMBL [CHEMBL269277]; PubChem [64971]; |
| Reference of Component-Ingredient Pair | 23821410 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1039 | Kummerowia striata | Ji Yan Cao | 鸡眼草 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1305 | Laggera alata | Liu Ling Ju | 六棱菊 |
| TCMH1315 | Salix babylonica | Liu Zhi | 柳枝 |
| TCMH1431 | Vitex trifolia | Man Jing Ye | 蔓荆叶 |
| TCMH1432 | Vitex trifolia | Man Jing Zi | 蔓荆子 |
Showing 1 to 10 of 59 entries
Ingredient ID: TCMC801
Formula: C29H50O
Ingredient ID: TCMC801
| Common Name | Beta-Sitosterol |
| IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-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)CC[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/C29H50O/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/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| Standard InCHIKey | KZJWDPNRJALLNS-VJSFXXLFSA-N |
| External Identifiers | ChEMBL [CHEMBL221542]; PubChem [222284]; |
| Reference of Component-Ingredient Pair | 24130033 |
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 |
| TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
| TCMH1017 | Oxytropis myriophylla | Ji Dou | 棘豆 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| 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 |
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
Showing 1 to 10 of 331 entries
Ingredient ID: TCMC791
Formula: C40H56
Ingredient ID: TCMC791
| Common Name | Beta Carotene |
| IUPAC Name | 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene |
| Canonical SMILES | C/C(=CC=CC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)/C)/C)/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)C |
| Standard InCHI | InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+ |
| Standard InCHIKey | OENHQHLEOONYIE-JLTXGRSLSA-N |
| External Identifiers | ChEMBL [CHEMBL1293]; PubChem [5280489]; |
| Reference of Component-Ingredient Pair | 21569430 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1146 | Oryza sativa | Jing Mi | 粳米 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH1228 | Capsicum frutescens | La Jiao | 辣椒 |
| TCMH1230 | Capsicum frutescens | La Jiao Jin Chu Ye | 辣椒浸出液 |
Showing 1 to 10 of 67 entries
Ingredient ID: TCMC721
Formula: C6H14N4O2
Ingredient ID: TCMC721
| Common Name | Arginine |
| IUPAC Name | (2S)-2-amino-5-(diaminomethylideneazaniumyl)pentanoate |
| Canonical SMILES | NC(=N)NCCC[C@@H](C(=O)O)N |
| Standard InCHI | InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1 |
| Standard InCHIKey | ODKSFYDXXFIFQN-BYPYZUCNSA-N |
| External Identifiers | ChEMBL [CHEMBL1485]; PubChem [28782]; |
| Reference of Component-Ingredient Pair | 19212411 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1537 | Baphicacanthus cusia | Nan Ban Lan Gen | 南板蓝根 |
| TCMH1538 | Baphicacanthus cusia | Nan Ban Lan Gen Jin Gao Fen | 南板蓝根浸膏粉 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2066 | Santalum album | Tan Xiang | 檀香 |
| TCMH228 | Bupleurum chinense | Chai Hu | 柴胡 |
| TCMH229 | Bupleurum chinense | Chai Hu Jin Gao | 柴胡浸膏 |
| TCMH230 | Bupleurum chinense | Chai Hu Shao | 柴胡梢 |
| TCMH2375 | Trigonella foenum-graecum | Yan Hu Lu Ba | 盐胡芦巴 |
| TCMH240 | Plantago depressa | Che Qian Cao | 车前草 |
Showing 1 to 10 of 19 entries
Ingredient ID: TCMC309
Formula: C14H17NO6
Ingredient ID: TCMC309
| Common Name | 2-(Hydroxymethyl)-6-(1H-Indol-3-Yloxy)Oxane-3,4,5-Triol |
| IUPAC Name | 2-(hydroxymethyl)-6-(1H-indol-3-yloxy)oxane-3,4,5-triol |
| Canonical SMILES | OCC1OC(Oc2c[nH]c3c2cccc3)C(C(C1O)O)O |
| Standard InCHI | InChI=1S/C14H17NO6/c16-6-10-11(17)12(18)13(19)14(21-10)20-9-5-15-8-4-2-1-3-7(8)9/h1-5,10-19H,6H2 |
| Standard InCHIKey | XVARCVCWNFACQC-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1561942]; PubChem [258533]; |
| Reference of Component-Ingredient Pair | 25597045 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH126 | Isatis indigotica | Ban Lan | 板蓝 |
| TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
| TCMH1510 | Isatis indigotica | Mu Ban Lan Gen | 木板蓝根 |
| TCMH1512 | Isatis indigotica | Mu Da Qing Ye | 木大青叶 |
| TCMH1537 | Baphicacanthus cusia | Nan Ban Lan Gen | 南板蓝根 |
| TCMH1538 | Baphicacanthus cusia | Nan Ban Lan Gen Jin Gao Fen | 南板蓝根浸膏粉 |
| TCMH381 | Isatis indigotica | Da Qing Ye | 大青叶 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC2233
Formula: C21H20O10
Ingredient ID: TCMC2233
| Common Name | Vitexin |
| IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc(c2c1oc(cc2=O)c1ccc(cc1)O)O |
| Standard InCHI | InChI=1S/C21H20O10/c22-7-14-17(27)18(28)19(29)21(31-14)16-11(25)5-10(24)15-12(26)6-13(30-20(15)16)8-1-3-9(23)4-2-8/h1-6,14,17-19,21-25,27-29H,7H2/t14-,17-,18+,19-,21+/m1/s1 |
| Standard InCHIKey | SGEWCQFRYRRZDC-VPRICQMDSA-N |
| External Identifiers | ChEMBL [CHEMBL487417]; PubChem [5280441]; |
| Reference of Component-Ingredient Pair | 22475010 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1039 | Kummerowia striata | Ji Yan Cao | 鸡眼草 |
| TCMH1073 | Gynostemma pentaphyllum | Jiao Gu Lan | 绞股蓝 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1380 | Humulus japonicus | Lv Cao | 葎草 |
| TCMH1396 | Portulaca oleracea | Ma Chi Xian | 马齿苋 |
| TCMH1409 | Cannabis sativa | Ma Ren | 麻仁 |
| TCMH1431 | Vitex trifolia | Man Jing Ye | 蔓荆叶 |
| TCMH1432 | Vitex trifolia | Man Jing Zi | 蔓荆子 |
Showing 1 to 10 of 54 entries
Ingredient ID: TCMC2197
Formula: C11H12N2O2
Ingredient ID: TCMC2197
| Common Name | Tryptophan |
| IUPAC Name | (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid |
| Canonical SMILES | OC(=O)[C@H](Cc1c[nH]c2c1cccc2)N |
| Standard InCHI | InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1 |
| Standard InCHIKey | QIVBCDIJIAJPQS-VIFPVBQESA-N |
| External Identifiers | ChEMBL [CHEMBL54976]; PubChem [6305]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1059 | Glycine max | Jiang | 姜 |
| TCMH1062 | Glycine max | Jiang Gao | 姜膏 |
| TCMH1067 | Glycine max | Jiang Tan | 姜炭 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH126 | Isatis indigotica | Ban Lan | 板蓝 |
| TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
Showing 1 to 10 of 39 entries
Ingredient ID: TCMC2196
Formula: C15H8N2O2
Ingredient ID: TCMC2196
| Common Name | Tryptanthrin |
| IUPAC Name | indolo[2,1-b]quinazoline-6,12-dione |
| Canonical SMILES | O=C1c2nc3ccccc3c(=O)n2c2c1cccc2 |
| Standard InCHI | InChI=1S/C15H8N2O2/c18-13-10-6-2-4-8-12(10)17-14(13)16-11-7-3-1-5-9(11)15(17)19/h1-8H |
| Standard InCHIKey | VQQVWGVXDIPORV-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL306946]; PubChem [73549]; |
| Reference of Component-Ingredient Pair | 11937358 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH126 | Isatis indigotica | Ban Lan | 板蓝 |
| TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
| TCMH1281 | Folium polygoni tinctorii | Liao Da Qing Ye | 蓼大青叶 |
| TCMH1430 | Hordeum vulgare | Mai Ya | 麦芽 |
| TCMH1510 | Isatis indigotica | Mu Ban Lan Gen | 木板蓝根 |
| TCMH1512 | Isatis indigotica | Mu Da Qing Ye | 木大青叶 |
| TCMH1537 | Baphicacanthus cusia | Nan Ban Lan Gen | 南板蓝根 |
| TCMH1538 | Baphicacanthus cusia | Nan Ban Lan Gen Jin Gao Fen | 南板蓝根浸膏粉 |
| TCMH1678 | Indigo naturalis | Qing Dai | 青黛 |
| TCMH232 | Bufo melanostictus | Chan Chu | 蟾蜍 |
Showing 1 to 10 of 13 entries
Ingredient ID: TCMC2190
Formula: C7H7NO2
Ingredient ID: TCMC2190
| Common Name | Trigonelline |
| IUPAC Name | 1-methylpyridin-1-ium-3-carboxylate |
| Canonical SMILES | C[n+]1cccc(c1)C(=O)[O-] |
| Standard InCHI | InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3 |
| Standard InCHIKey | WWNNZCOKKKDOPX-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL350675]; PubChem [5570]; |
| Reference of Component-Ingredient Pair | 20567778 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH131 | Pinellia ternata | Ban Xia Qu | 半夏曲 |
| TCMH1409 | Cannabis sativa | Ma Ren | 麻仁 |
| TCMH1537 | Baphicacanthus cusia | Nan Ban Lan Gen | 南板蓝根 |
| TCMH1538 | Baphicacanthus cusia | Nan Ban Lan Gen Jin Gao Fen | 南板蓝根浸膏粉 |
| TCMH1539 | Cucurbita moschata | Nan Gua | 南瓜 |
| TCMH1669 | Radix solani melongenae | Qie Gen | 茄根 |
| TCMH1677 | Pinellia ternata | Qing Ban Xia | 清半夏 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
Showing 1 to 10 of 29 entries
Ingredient ID: TCMC2188
Formula: C17H14O7
Ingredient ID: TCMC2188
| Common Name | Tricin |
| IUPAC Name | 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one |
| Canonical SMILES | COc1cc(cc(c1O)OC)c1cc(=O)c2c(o1)cc(cc2O)O |
| Standard InCHI | InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)17(14)21)12-7-11(20)16-10(19)5-9(18)6-13(16)24-12/h3-7,18-19,21H,1-2H3 |
| Standard InCHIKey | HRGUSFBJBOKSML-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL454320]; PubChem [5281702]; |
| Reference of Component-Ingredient Pair | 22983843 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
| TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
| TCMH1435 | Psychotria serpens | Man Jiu Jie | 蔓九节 |
| TCMH1519 | Oroxylum indicum | Mu Hu Die | 木蝴蝶 |
| TCMH1537 | Baphicacanthus cusia | Nan Ban Lan Gen | 南板蓝根 |
| TCMH1538 | Baphicacanthus cusia | Nan Ban Lan Gen Jin Gao Fen | 南板蓝根浸膏粉 |
| TCMH1622 | Scutellaria baicalensis | Pian Qin | 片芩 |
Showing 1 to 10 of 40 entries
Ingredient ID: TCMC2158
Formula: C12H17N4OS
Ingredient ID: TCMC2158
| Common Name | Thiamine |
| IUPAC Name | 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol |
| Canonical SMILES | OCCc1sc[n+](c1C)Cc1cnc([nH]c1=N)C |
| Standard InCHI | InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1 |
| Standard InCHIKey | JZRWCGZRTZMZEH-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1547]; PubChem [1130]; |
| Reference of Component-Ingredient Pair | 22807026 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1499 | Changium smyrnioides | Ming Dang Shen | 明党参 |
| TCMH1537 | Baphicacanthus cusia | Nan Ban Lan Gen | 南板蓝根 |
| TCMH1538 | Baphicacanthus cusia | Nan Ban Lan Gen Jin Gao Fen | 南板蓝根浸膏粉 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2213 | Ipomoea cairica | Wu Zhao Long | 五爪龙 |
| TCMH2375 | Trigonella foenum-graecum | Yan Hu Lu Ba | 盐胡芦巴 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC1811
Formula: C8H7NO
Ingredient ID: TCMC1811
| Common Name | Oxindole |
| IUPAC Name | 1,3-dihydroindol-2-one |
| Canonical SMILES | OC1=Nc2c(C1)cccc2 |
| Standard InCHI | InChI=1S/C8H7NO/c10-8-5-6-3-1-2-4-7(6)9-8/h1-4H,5H2,(H,9,10) |
| Standard InCHIKey | JYGFTBXVXVMTGB-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL40823]; PubChem [321710]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1734
Formula: C15H12O5
Ingredient ID: TCMC1734
| Common Name | Naringenin |
| IUPAC Name | (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one |
| Canonical SMILES | Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O |
| Standard InCHI | InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1 |
| Standard InCHIKey | FTVWIRXFELQLPI-ZDUSSCGKSA-N |
| External Identifiers | ChEMBL [CHEMBL9352]; PubChem [439246]; |
| Reference of Component-Ingredient Pair | 22970652 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1179 | Citri exocarpium rubrum | Ju Hong | 橘红 |
| TCMH1181 | Chrysanthemum morifolium | Ju Hua | 菊花 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH132 | Scutellaria barbata | Ban Zhi Lian | 半枝莲 |
| TCMH1322 | Solanum nigrum | Long Kui | 龙葵 |
| TCMH1437 | Rhododendron dauricum | Man Shan Hong | 满山红 |
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
Showing 1 to 10 of 56 entries
Ingredient ID: TCMC1496
Formula: C18H30O2
Ingredient ID: TCMC1496
| Common Name | Linolenic Acid |
| IUPAC Name | (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid |
| Canonical SMILES | CC/C=CC/C=CC/C=CCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9- |
| Standard InCHIKey | DTOSIQBPPRVQHS-PDBXOOCHSA-N |
| External Identifiers | ChEMBL [CHEMBL8739]; PubChem [5280934]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1005 | Cannabis sativa | Huo Ma Ren | 火麻仁 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
Showing 1 to 10 of 132 entries
Ingredient ID: TCMC1403
Formula: C21H20O11
Ingredient ID: TCMC1403
| Common Name | Isoorientin |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1 |
| Standard InCHIKey | ODBRNZZJSYPIDI-VJXVFPJBSA-N |
| External Identifiers | ChEMBL [CHEMBL239559]; PubChem [114776]; |
| Reference of Component-Ingredient Pair | 22475010 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1275 | Nelumbo nucifera | Lian Zi | 莲子 |
| TCMH1276 | Nelumbo nucifera | Lian Zi Xin | 莲子心 |
| TCMH1537 | Baphicacanthus cusia | Nan Ban Lan Gen | 南板蓝根 |
| TCMH1538 | Baphicacanthus cusia | Nan Ban Lan Gen Jin Gao Fen | 南板蓝根浸膏粉 |
| TCMH1598 | Nelumbo nucifera | Ou | 藕 |
| TCMH1599 | Nelumbo nucifera | Ou Fen | 藕粉 |
| TCMH1601 | Nelumbo nucifera | Ou Pian | 藕片 |
| TCMH1673 | Gentiana macrophylla | Qin Jiao | 秦艽 |
| TCMH1674 | Gentiana straminea | Qin Jiao Hua | 秦艽花 |
| TCMH1738 | Ficus microcarpa | Rong Shu Xu | 榕树须 |
Showing 1 to 10 of 31 entries
Ingredient ID: TCMC1396
Formula: C16H10N2O2
Ingredient ID: TCMC1396
| Common Name | Isoindigo |
| IUPAC Name | (3E)-3-(2-oxo-1H-indol-3-ylidene)-1H-indol-2-one |
| Canonical SMILES | OC1=Nc2c(/C/1=C/1C(=Nc3c1cccc3)O)cccc2 |
| Standard InCHI | InChI=1S/C16H10N2O2/c19-15-13(9-5-1-3-7-11(9)17-15)14-10-6-2-4-8-12(10)18-16(14)20/h1-8H,(H,17,19)(H,18,20)/b14-13+ |
| Standard InCHIKey | MLCPSWPIYHDOKG-BUHFOSPRSA-N |
| External Identifiers | ChEMBL [CHEMBL515155]; PubChem [5318575]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1537 | Baphicacanthus cusia | Nan Ban Lan Gen | 南板蓝根 |
| TCMH1538 | Baphicacanthus cusia | Nan Ban Lan Gen Jin Gao Fen | 南板蓝根浸膏粉 |
| TCMH1665 | Notopterygium incisum | Qiang Huo | 羌活 |
| TCMH1678 | Indigo naturalis | Qing Dai | 青黛 |
| TCMH279 | Angelica pubescens | Chuan Du Huo | 川独活 |
| TCMH292 | Notopterygium incisum | Chuan Qiang Huo | 川羌活 |
| TCMH517 | Angelica pubescens | Du Huo | 独活 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC1377
Formula: C8H5NO2
Ingredient ID: TCMC1377
| Common Name | Isatin |
| IUPAC Name | 1H-indole-2,3-dione |
| Canonical SMILES | O=C1C(=O)Nc2c1cccc2 |
| Standard InCHI | InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11) |
| Standard InCHIKey | JXDYKVIHCLTXOP-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL326294]; PubChem [7054]; |
| Reference of Component-Ingredient Pair | 22969614 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH126 | Isatis indigotica | Ban Lan | 板蓝 |
| TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
| TCMH1510 | Isatis indigotica | Mu Ban Lan Gen | 木板蓝根 |
| TCMH1512 | Isatis indigotica | Mu Da Qing Ye | 木大青叶 |
| TCMH1537 | Baphicacanthus cusia | Nan Ban Lan Gen | 南板蓝根 |
| TCMH1538 | Baphicacanthus cusia | Nan Ban Lan Gen Jin Gao Fen | 南板蓝根浸膏粉 |
| TCMH1678 | Indigo naturalis | Qing Dai | 青黛 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
| TCMH2710 | Homo sapiens | Zi He Che | 紫河车 |
| TCMH381 | Isatis indigotica | Da Qing Ye | 大青叶 |
Showing 1 to 10 of 10 entries
Ingredient ID: TCMC1370
Formula: C16H10N2O2
Ingredient ID: TCMC1370
| Common Name | Indigo |
| IUPAC Name | (2E)-2-(3-oxo-1H-indol-2-ylidene)-1H-indol-3-one |
| Canonical SMILES | O=C1c2ccccc2N/C/1=C1/Nc2c(C1=O)cccc2 |
| Standard InCHI | InChI=1S/C16H10N2O2/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h1-8,17-18H/b14-13+ |
| Standard InCHIKey | COHYTHOBJLSHDF-BUHFOSPRSA-N |
| External Identifiers | ChEMBL [CHEMBL599552]; PubChem [5318432]; |
| Reference of Component-Ingredient Pair | 23749163 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH126 | Isatis indigotica | Ban Lan | 板蓝 |
| TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
| TCMH1510 | Isatis indigotica | Mu Ban Lan Gen | 木板蓝根 |
| TCMH1512 | Isatis indigotica | Mu Da Qing Ye | 木大青叶 |
| TCMH1537 | Baphicacanthus cusia | Nan Ban Lan Gen | 南板蓝根 |
| TCMH1538 | Baphicacanthus cusia | Nan Ban Lan Gen Jin Gao Fen | 南板蓝根浸膏粉 |
| TCMH1678 | Indigo naturalis | Qing Dai | 青黛 |
| TCMH2309 | Allium macrostemon | Xie Bai | 薤白 |
| TCMH2332 | Spiraea japonica | Xiu Xian Ju | 绣线菊 |
| TCMH381 | Isatis indigotica | Da Qing Ye | 大青叶 |
Showing 1 to 10 of 10 entries
Ingredient ID: TCMC1202
Formula: C7H6O5
Ingredient ID: TCMC1202
| Common Name | Gallic Acid |
| IUPAC Name | 3,4,5-trihydroxybenzoic acid |
| Canonical SMILES | OC(=O)c1cc(O)c(c(c1)O)O |
| Standard InCHI | InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12) |
| Standard InCHIKey | LNTHITQWFMADLM-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL288114]; PubChem [370]; |
| Reference of Component-Ingredient Pair | 23800587 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1025 | Loropetalum chinense | Ji Mu Ye Jin Gao | 继木叶浸膏 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1090 | Brassica juncea | Jie Zi | 芥子 |
| TCMH1121 | Cardiospermum halicacabum | Jin Si Ku Lian | 金丝苦楝 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| 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 |
Showing 1 to 10 of 168 entries
Ingredient ID: TCMC1186
Formula: C16H12O4
Ingredient ID: TCMC1186
| Common Name | Formononetin |
| IUPAC Name | 7-hydroxy-3-(4-methoxyphenyl)chromen-4-one |
| Canonical SMILES | COc1ccc(cc1)c1coc2c(c1=O)ccc(c2)O |
| Standard InCHI | InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3 |
| Standard InCHIKey | HKQYGTCOTHHOMP-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL242341]; PubChem [5280378]; |
| Reference of Component-Ingredient Pair | 28985473 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1215 | Sophora flavescens | Ku Shen | 苦参 |
| TCMH1296 | Ganoderma lucidum | Ling Zhi Jin Gao | 灵芝浸膏 |
| TCMH1299 | Ganoderma lucidum | Ling Zhi(1) | 灵芝 |
| TCMH1398 | Ephedra sinica | Ma Huang | 麻黄 |
| TCMH1399 | Ephedra sinica | Ma Huang Gao | 麻黄膏 |
| TCMH1400 | Ephedra sinica | Ma Huang Gen | 麻黄根 |
| TCMH1401 | Ephedra sinica | Ma Huang Jin Gao | 麻黄浸膏 |
| TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
Showing 1 to 10 of 47 entries
Ingredient ID: TCMC1072
Formula: C27H42O3
Ingredient ID: TCMC1072
| Common Name | Disogenin |
| IUPAC Name | n.a. |
| Canonical SMILES | C[C@@H]1CC[C@@]2(OC1)O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC=C3[C@]([C@H]1CC2)(C)CC[C@@H](C3)O)C |
| Standard InCHI | InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1 |
| Standard InCHIKey | WQLVFSAGQJTQCK-VKROHFNGSA-N |
| External Identifiers | ChEMBL [CHEMBL412437]; PubChem [99474]; |
| Reference of Component-Ingredient Pair | 22575181 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1537 | Baphicacanthus cusia | Nan Ban Lan Gen | 南板蓝根 |
| TCMH1538 | Baphicacanthus cusia | Nan Ban Lan Gen Jin Gao Fen | 南板蓝根浸膏粉 |
| TCMH2023 | Chloranthus holostegius | Si Kuai Wa | 四块瓦 |
| TCMH2090 | Gastrodia elata | Tian Ma | 天麻 |
| TCMH2134 | Smilax glabra | Tu Fu Ling | 土茯苓 |
| TCMH2375 | Trigonella foenum-graecum | Yan Hu Lu Ba | 盐胡芦巴 |
| TCMH2624 | Anemarrhena asphodeloides | Zhi Mu | 知母 |
| TCMH2668 | Anemone raddeana | Zhu Jie Xiang Fu | 竹节香附 |
| TCMH276 | Dioscorea septemloba | Chuan Bi Xie | 川萆薢 |
| TCMH285 | Dioscorea nipponica | Chuan Long Shu Yu | 穿龙薯蓣 |
Showing 1 to 10 of 14 entries
Ingredient ID: TCMC1063
Formula: C45H72O16
Ingredient ID: TCMC1063
| Common Name | Dioscin |
| IUPAC Name | n.a. |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@@H]3[C@H](C)[C@]3(O4)CC[C@H](CO3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C45H72O16/c1-19-9-14-45(54-18-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(52)34(50)32(48)22(4)56-41)37(53)38(29(17-46)58-42)59-40-35(51)33(49)31(47)21(3)55-40/h7,19-22,24-42,46-53H,8-18H2,1-6H3/t19-,20+,21+,22+,24+,25-,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1 |
| Standard InCHIKey | VNONINPVFQTJOC-ZGXDEBHDSA-N |
| External Identifiers | ChEMBL [CHEMBL507001]; PubChem [119245]; |
| Reference of Component-Ingredient Pair | 29389802 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1537 | Baphicacanthus cusia | Nan Ban Lan Gen | 南板蓝根 |
| TCMH1538 | Baphicacanthus cusia | Nan Ban Lan Gen Jin Gao Fen | 南板蓝根浸膏粉 |
| TCMH1759 | Asparagus cochinchinensis | San Bai Bang | 三百棒 |
| TCMH2084 | Asparagus cochinchinensis | Tian Dong | 天冬 |
| TCMH2092 | Asparagus cochinchinensis | Tian Men Dong | 天门冬 |
| TCMH2134 | Smilax glabra | Tu Fu Ling | 土茯苓 |
| TCMH2375 | Trigonella foenum-graecum | Yan Hu Lu Ba | 盐胡芦巴 |
| TCMH2646 | Rhizoma paridis | Chong Lou | 重楼 |
| TCMH276 | Dioscorea septemloba | Chuan Bi Xie | 川萆薢 |
| TCMH285 | Dioscorea nipponica | Chuan Long Shu Yu | 穿龙薯蓣 |
Showing 1 to 10 of 11 entries
Ingredient ID: TCMC1024
Formula: C6H9N3O2
Ingredient ID: TCMC1024
| Common Name | D-Histidine |
| IUPAC Name | (2R)-2-amino-3-(1H-imidazol-5-yl)propanoic acid |
| Canonical SMILES | N[C@@H](C(=O)O)Cc1cnc[nH]1 |
| Standard InCHI | InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m1/s1 |
| Standard InCHIKey | HNDVDQJCIGZPNO-RXMQYKEDSA-N |
| External Identifiers | ChEMBL [CHEMBL104875]; PubChem [71083]; |
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1024 | C6H9N3O2 | D-Histidine | 155.07 | -1.3116 | 1.57 | -3.134 | 5 | 3 | 92 | 5 | 1 | 11 | 0 |
| TCMC1063 | C45H72O16 | Dioscin | 868.48 | -3.9636 | 4.65 | 2.836 | 16 | 8 | 235.68 | 21 | 9 | 61 | 2 |
| TCMC1072 | C27H42O3 | Disogenin | 414.31 | 0.2771 | 4.1 | 6.041 | 3 | 1 | 38.69 | 5 | 6 | 30 | 1 |
| TCMC1186 | C16H12O4 | Formononetin | 268.07 | -1.1788 | 2.78 | 2.994 | 1 | 1 | 55.76 | 4 | 3 | 20 | 0 |
| TCMC1202 | C7H6O5 | Gallic Acid | 170.02 | -1.6207 | 1.68 | 0.002 | 2 | 4 | 97.99 | 5 | 1 | 12 | 0 |
| TCMC1370 | C16H10N2O2 | Indigo | 262.07 | -1.7942 | 2.78 | 4.628 | 4 | 2 | 58.2 | 0 | 4 | 20 | 0 |
| TCMC1377 | C8H5NO2 | Isatin | 147.03 | -0.8986 | 2.01 | 1.653 | 3 | 1 | 46.17 | 0 | 2 | 11 | 0 |
| TCMC1396 | C16H10N2O2 | Isoindigo | 262.07 | -0.0866 | 2.78 | 4.42 | 4 | 2 | 65.18 | 2 | 4 | 20 | 0 |
| TCMC1403 | C21H20O11 | Isoorientin | 448.1 | -4.5805 | 2.56 | -1.042 | 6 | 8 | 197.37 | 11 | 4 | 32 | 1 |
| TCMC1496 | C18H30O2 | Linolenic Acid | 278.22 | -0.0979 | 3.22 | 7.538 | 2 | 1 | 37.3 | 15 | 0 | 20 | 2 |
Showing 1 to 10 of 27 entries
Download Data
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