Description of the Component
Component ID |
TCMH1036 |
Latin Name |
Spatholobus suberectus |
English Name |
Suberect spatholobus stem |
Chinese Pinyin Name |
Ji Xue Teng |
中文名 |
鸡血藤 |
TCM Properties |
Warm,Sweet,Bitter |
TCM Meridians |
Liver |
Therapeutic Class English |
Blood activation and stasis removal |
Therapeutic Class Chinese |
活血化淤 |
Functions |
enrich the blood, activate blood circulation, and remove obstruction of the channels and collaterals |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
Guangxi Province |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
ITSAK2607-14 |
Barcode Source |
BOLDSYSTEMS |
TCM Prescriptions with the Component
| Prescription ID | Prescription English Name | Prescription Chinese Name |
|---|---|---|
| TCMF1095 | Wei Xue Ning Granules | 维血宁颗粒 |
| TCMF1114 | Zi Bu Sheng Fa Tablet | 滋补生发片 |
| TCMF1123 | Xin Xue Bao Capsule | 新血宝胶囊 |
| TCMF121 | Wei Xue Ning Recipe | 维血宁合剂 |
| TCMF1387 | Mugua Pills | 木瓜丸 |
| TCMF1432 | Dingkun Pills, Bolus for Woman Diseases | 定坤丹 |
| TCMF147 | Diao Jing Huo Xue Capsule | 调经活血胶囊 |
| TCMF2196 | Lifter Blood Tonification Pill | 生力片 |
| TCMF2221 | Loins-Strengthening and Kidney-Invigorating Bolus | 壮腰健肾丸 |
| TCMF2222 | Tonic Semifluid Extract of Ginseng and Venison | 参鹿补膏 |
Showing 1 to 10 of 174 entries
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 |
| TCMT101 | PTPN1 | Protein-tyrosine phosphatase 1B | Hydrolase | P18031 |
| TCMT133 | CA1 | Carbonic anhydrase I | Lyase | P00915 |
| TCMT134 | CA2 | Carbonic anhydrase II | Lyase | P00918 |
| TCMT136 | CA12 | Carbonic anhydrase XII | Lyase | O43570 |
| TCMT138 | CA7 | Carbonic anhydrase VII | Lyase | P43166 |
| TCMT142 | CA4 | Carbonic anhydrase IV | Lyase | P22748 |
| TCMT150 | RORC | Nuclear receptor ROR-gamma | Nuclear receptor | P51449 |
| TCMT156 | CYP19A1 | Cytochrome P450 19A1 | Oxidoreductase | P11511 |
| TCMT162 | UGT1A1 | UDP-glucuronosyltransferase 1-1 | Transferase | P22309 |
Showing 1 to 10 of 42 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1099 | Neuraminidase |
| TCMT1104 | Sortase |
| TCMT1121 | Sialidase |
| TCMT1136 | Neuraminidase |
| TCMT1186 | Plasmodium yoelii yoelii |
| TCMT1214 | Enterococcus faecium |
| TCMT1218 | Staphylococcus aureus |
| TCMT1229 | Enterococcus faecalis |
| TCMT1234 | Bacillus coagulans |
| TCMT1235 | Clostridium sporogenes |
Showing 1 to 10 of 25 entries
Ingredient Structrues
Ingredient ID: TCMC995
Formula: C35H60O6
Ingredient ID: TCMC995
| Common Name | Daucosterol |
| IUPAC Name | (2R,3R,4S,5S,6R)-2-[[(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-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| 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@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)C |
| Standard InCHI | InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1 |
| Standard InCHIKey | NPJICTMALKLTFW-OFUAXYCQSA-N |
| External Identifiers | ChEMBL [CHEMBL506678]; PubChem [5742590]; |
| Reference of Component-Ingredient Pair | 16261518 |
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 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| 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 |
| TCMH1078 | Fructus gardeniae preparata | Jiao Shan Zhi | 焦山栀 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
Showing 1 to 10 of 223 entries
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: TCMC90
Formula: C15H14O7
Ingredient ID: TCMC90
| Common Name | (2S,3S)-2-(3,4,5-Trihydroxy-Phenyl)-Chroman-3,5,7-Triol |
| IUPAC Name | (2S,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol |
| Canonical SMILES | Oc1cc2O[C@@H](c3cc(O)c(c(c3)O)O)[C@H](Cc2c(c1)O)O |
| Standard InCHI | InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m0/s1 |
| Standard InCHIKey | XMOCLSLCDHWDHP-WFASDCNBSA-N |
| External Identifiers | ChEMBL [CHEMBL130415]; PubChem [10425234]; |
| 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 |
| TCMH104 | Paeonia lactiflora | Bai Shao | 白芍 |
| TCMH105 | Paeonia lactiflora | Bai Shao Gan Jin Gao | 白芍干浸膏 |
| TCMH1322 | Solanum nigrum | Long Kui | 龙葵 |
| TCMH1367 | Apocynum venetum | Luo Bu Ma | 罗布麻 |
| TCMH1792 | Morus alba | Sang Pi | 桑皮 |
| TCMH1797 | Morus alba | Sang Ye | 桑叶 |
| TCMH1798 | Morus alba | Sang Zhi | 桑枝 |
Showing 1 to 10 of 22 entries
Ingredient ID: TCMC875
Formula: C17H14O5
Ingredient ID: TCMC875
| Common Name | Castanin |
| IUPAC Name | 7-hydroxy-6-methoxy-3-(4-methoxyphenyl)chromen-4-one |
| Canonical SMILES | COc1ccc(cc1)c1coc2c(c1=O)cc(c(c2)O)OC |
| Standard InCHI | InChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)13-9-22-15-8-14(18)16(21-2)7-12(15)17(13)19/h3-9,18H,1-2H3 |
| Standard InCHIKey | KJGPBYUQZLUKLL-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL464404]; PubChem [5281704]; |
| 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 |
| TCMH469 | Spatholobus suberectus | Dian Ji Xue Teng Gao Fen | 滇鸡血藤膏粉 |
| TCMH766 | Millettia dielsiana | Guo Jiang Long | 过江龙 |
| TCMH981 | Astragalus membranaceus | Huang Qi | 黄芪 |
| TCMH983 | Astragalus membranaceus | Huang Qi Gan Jin Gao | 黄芪干浸膏 |
| TCMH984 | Astragalus membranaceus | Huang Qi Jin Gao | 黄芪浸膏 |
| TCMH985 | Astragalus membranaceus | Huang Qi Ti Qu Ye | 黄芪提取液 |
Showing 1 to 9 of 9 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: TCMC76
Formula: C15H12O7
Ingredient ID: TCMC76
| Common Name | (2R,3S)-2-(3,4-Dihydroxyphenyl)-3,5,7-Trihydroxy-2,3-Dihydrochromen-4-One |
| IUPAC Name | (2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one |
| Canonical SMILES | Oc1cc2O[C@H](c3ccc(c(c3)O)O)[C@@H](C(=O)c2c(c1)O)O |
| Standard InCHI | InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15-/m1/s1 |
| Standard InCHIKey | CXQWRCVTCMQVQX-HUUCEWRRSA-N |
| External Identifiers | ChEMBL [CHEMBL221328]; PubChem [712318]; |
| 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 |
| TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
| TCMH1376 | Trachelospermum jasminoides | Luo Shi Teng | 络石藤 |
| TCMH143 | Albizia julibrissin | Bei He Huan | 北合欢 |
| TCMH1437 | Rhododendron dauricum | Man Shan Hong | 满山红 |
| TCMH1446 | Vaccinium oxycoccos | Man Yue Mei | 蔓越莓 |
| TCMH1448 | Mangifera indica | Mang Guo Ye | 芒果叶 |
| TCMH1518 | Chaenomeles sinensis | Mu Gua | 木瓜 |
Showing 1 to 10 of 29 entries
Ingredient ID: TCMC6930
Formula: C18H14O8
Ingredient ID: TCMC6930
| Common Name | 12-Dihydrousararotenoid A |
| IUPAC Name | (1R,13R,24R)-5,7,11,14,17,19-hexaoxahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-2,4(8),9,15(23),16(20),21-hexaene-1,24-diol |
| Canonical SMILES | O[C@@H]1c2ccc3c(c2O[C@H]2[C@@]1(O)c1cc4OCOc4cc1OC2)OCO3 |
| Standard InCHI | InChI=1S/C18H14O8/c19-17-8-1-2-10-16(25-7-22-10)15(8)26-14-5-21-11-4-13-12(23-6-24-13)3-9(11)18(14,17)20/h1-4,14,17,19-20H,5-7H2/t14-,17-,18+/m1/s1 |
| Standard InCHIKey | DAVDZIGDWFWYRS-OLMNPRSZSA-N |
| External Identifiers | ChEMBL [CHEMBL3758902]; PubChem [73897316]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6929
Formula: C18H12O8
Ingredient ID: TCMC6929
| Common Name | Usararotenoid A |
| IUPAC Name | (1S,13R)-1-hydroxy-5,7,11,14,17,19-hexaoxahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-2,4(8),9,15(23),16(20),21-hexaen-24-one |
| Canonical SMILES | O=C1c2ccc3c(c2O[C@H]2[C@@]1(O)c1cc4OCOc4cc1OC2)OCO3 |
| Standard InCHI | InChI=1S/C18H12O8/c19-17-8-1-2-10-16(25-7-22-10)15(8)26-14-5-21-11-4-13-12(23-6-24-13)3-9(11)18(14,17)20/h1-4,14,20H,5-7H2/t14-,18+/m1/s1 |
| Standard InCHIKey | JYEPVYNKUJFCHX-KDOFPFPSSA-N |
| External Identifiers | ChEMBL [CHEMBL3758221]; PubChem [73897315]; |
| Reference of Component-Ingredient Pair | 13679101 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6827
Formula: C24H22O8
Ingredient ID: TCMC6827
| Common Name | Thonningine C |
| IUPAC Name | 6-(3,4-dimethoxyphenyl)-5-hydroxy-3,4-dimethoxy-2-prop-1-en-2-ylfuro[3,2-g]chromen-7-one |
| Canonical SMILES | COc1cc(ccc1OC)c1c(=O)oc2c(c1O)c(OC)c1c(c2)oc(c1OC)C(=C)C |
| Standard InCHI | InChI=1S/C24H22O8/c1-11(2)21-23(30-6)19-16(31-21)10-15-18(22(19)29-5)20(25)17(24(26)32-15)12-7-8-13(27-3)14(9-12)28-4/h7-10,25H,1H2,2-6H3 |
| Standard InCHIKey | LREPZESSDJCNNE-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [54704888]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6775
Formula: C21H20O5
Ingredient ID: TCMC6775
| Common Name | Pervilline |
| IUPAC Name | (1R,6R,13R)-17-methoxy-6-prop-1-en-2-yl-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-2(10),3,8,14(19),15,17-hexaen-18-ol |
| Canonical SMILES | COc1ccc2c(c1O)O[C@@H]1[C@H]2COc2c1cc1C[C@@H](Oc1c2)C(=C)C |
| Standard InCHI | InChI=1S/C21H20O5/c1-10(2)16-7-11-6-13-18(8-17(11)25-16)24-9-14-12-4-5-15(23-3)19(22)21(12)26-20(13)14/h4-6,8,14,16,20,22H,1,7,9H2,2-3H3/t14-,16+,20-/m0/s1 |
| Standard InCHIKey | IJYFCLZEBZPQIZ-NBQZKYEYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [46939889]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6670
Formula: C21H18O6
Ingredient ID: TCMC6670
| Common Name | 3'-Hydroxy-4'-O-Methylalpinumisoflavone |
| IUPAC Name | 5-hydroxy-7-(3-hydroxy-4-methoxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one |
| Canonical SMILES | COc1ccc(cc1O)c1coc2c(c1=O)c(O)c1c(c2)OC(C=C1)(C)C |
| Standard InCHI | InChI=1S/C21H18O6/c1-21(2)7-6-12-16(27-21)9-17-18(19(12)23)20(24)13(10-26-17)11-4-5-15(25-3)14(22)8-11/h4-10,22-23H,1-3H3 |
| Standard InCHIKey | XEOFUBPZBRENSE-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL549827]; PubChem [44257309]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6293
Formula: C17H14O7
Ingredient ID: TCMC6293
| Common Name | Laurentinol |
| IUPAC Name | 3,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one |
| Canonical SMILES | COc1cc(cc(c1O)OC)c1oc2cc(O)ccc2c(=O)c1O |
| Standard InCHI | InChI=1S/C17H14O7/c1-22-12-5-8(6-13(23-2)15(12)20)17-16(21)14(19)10-4-3-9(18)7-11(10)24-17/h3-7,18,20-21H,1-2H3 |
| Standard InCHIKey | HORABUFWIBXDQQ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL3958936]; PubChem [15895793]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5984
Formula: C27H28O6
Ingredient ID: TCMC5984
| Common Name | Griffonianone C |
| IUPAC Name | 3-(1,3-benzodioxol-5-yl)-6-methoxy-8,8-bis(3-methylbut-2-enyl)chromene-4,7-dione |
| Canonical SMILES | COC1=Cc2c(=O)c(coc2C(C1=O)(CC=C(C)C)CC=C(C)C)c1ccc2c(c1)OCO2 |
| Standard InCHI | InChI=1S/C27H28O6/c1-16(2)8-10-27(11-9-17(3)4)25(29)23(30-5)13-19-24(28)20(14-31-26(19)27)18-6-7-21-22(12-18)33-15-32-21/h6-9,12-14H,10-11,15H2,1-5H3 |
| Standard InCHIKey | JKFYHNPGNCGTJT-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [12972369]; |
| Reference of Component-Ingredient Pair | 16428019 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5983
Formula: C22H18O7
Ingredient ID: TCMC5983
| Common Name | Griffonianone B |
| IUPAC Name | 3-(1,3-benzodioxol-5-yl)-6-hydroxy-5-methoxy-8,8-dimethylpyrano[2,3-h]chromen-4-one |
| Canonical SMILES | COc1c(O)c2OC(C)(C)C=Cc2c2c1c(=O)c(co2)c1ccc2c(c1)OCO2 |
| Standard InCHI | InChI=1S/C22H18O7/c1-22(2)7-6-12-19-16(21(25-3)18(24)20(12)29-22)17(23)13(9-26-19)11-4-5-14-15(8-11)28-10-27-14/h4-9,24H,10H2,1-3H3 |
| Standard InCHIKey | WWDGFJYGAQKSRX-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [12972368]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5471
Formula: C21H18O5
Ingredient ID: TCMC5471
| Common Name | 5-O-Methylalpinumisoflavone |
| IUPAC Name | 7-(4-hydroxyphenyl)-5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-6-one |
| Canonical SMILES | COc1c2C=CC(Oc2cc2c1c(=O)c(co2)c1ccc(cc1)O)(C)C |
| Standard InCHI | InChI=1S/C21H18O5/c1-21(2)9-8-14-16(26-21)10-17-18(20(14)24-3)19(23)15(11-25-17)12-4-6-13(22)7-5-12/h4-11,22H,1-3H3 |
| Standard InCHIKey | GIVRDLOWBBXCNM-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [10736576]; |
| Reference of Component-Ingredient Pair | 10820816 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5354
Formula: C25H28O4
Ingredient ID: TCMC5354
| Common Name | 4'-O-Geranylisoliquiritigenin |
| IUPAC Name | (E)-1-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-hydroxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one |
| Canonical SMILES | C/C(=CCOc1ccc(c(c1)O)C(=O)/C=C/c1ccc(cc1)O)/CCC=C(C)C |
| Standard InCHI | InChI=1S/C25H28O4/c1-18(2)5-4-6-19(3)15-16-29-22-12-13-23(25(28)17-22)24(27)14-9-20-7-10-21(26)11-8-20/h5,7-15,17,26,28H,4,6,16H2,1-3H3/b14-9+,19-15+ |
| Standard InCHIKey | YGNHPWQWWZLUBY-UHGDPLQBSA-N |
| External Identifiers | ChEMBL [CHEMBL567921]; PubChem [10318361]; |
| Reference of Component-Ingredient Pair | 13679101 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5209
Formula: C22H18O7
Ingredient ID: TCMC5209
| Common Name | 12A-Epimillettosin |
| IUPAC Name | (1R,14S)-14-hydroxy-7,7-dimethyl-2,8,18,20,24-pentaoxahexacyclo[12.11.0.03,12.04,9.015,23.017,21]pentacosa-3(12),4(9),5,10,15,17(21),22-heptaen-13-one |
| Canonical SMILES | O=C1c2ccc3c(c2O[C@H]2[C@@]1(O)c1cc4OCOc4cc1OC2)C=CC(O3)(C)C |
| Standard InCHI | InChI=1S/C22H18O7/c1-21(2)6-5-11-14(29-21)4-3-12-19(11)28-18-9-25-15-8-17-16(26-10-27-17)7-13(15)22(18,24)20(12)23/h3-8,18,24H,9-10H2,1-2H3/t18-,22+/m1/s1 |
| Standard InCHIKey | UMORYJJPSIXKBM-GCJKJVERSA-N |
| External Identifiers | ChEMBL [CHEMBL3759427]; PubChem [7330544]; |
| Reference of Component-Ingredient Pair | 13679101 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5200
Formula: C22H16O6
Ingredient ID: TCMC5200
| Common Name | 6Α,12Α-Dehydromillettone |
| IUPAC Name | 7,7-dimethyl-2,8,18,20,24-pentaoxahexacyclo[12.11.0.03,12.04,9.015,23.017,21]pentacosa-1(14),3(12),4(9),5,10,15,17(21),22-octaen-13-one |
| Canonical SMILES | O=c1c2c(COc3c2cc2OCOc2c3)oc2c1ccc1c2C=CC(O1)(C)C |
| Standard InCHI | InChI=1S/C22H16O6/c1-22(2)6-5-11-14(28-22)4-3-12-20(23)19-13-7-16-17(26-10-25-16)8-15(13)24-9-18(19)27-21(11)12/h3-8H,9-10H2,1-2H3 |
| Standard InCHIKey | JOEPOINDECTPQI-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [7040274]; |
| Reference of Component-Ingredient Pair | 13679101 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4119
Formula: C23H22O7
Ingredient ID: TCMC4119
| Common Name | Usararotenoid C |
| IUPAC Name | (1S,13R)-1-hydroxy-17-methoxy-16-(3-methylbut-2-enyl)-5,7,11,14-tetraoxapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-21-one |
| Canonical SMILES | COc1ccc2c(c1CC=C(C)C)O[C@H]1[C@@](C2=O)(O)c2cc3OCOc3cc2OC1 |
| Standard InCHI | InChI=1S/C23H22O7/c1-12(2)4-5-13-16(26-3)7-6-14-21(13)30-20-10-27-17-9-19-18(28-11-29-19)8-15(17)23(20,25)22(14)24/h4,6-9,20,25H,5,10-11H2,1-3H3/t20-,23+/m1/s1 |
| Standard InCHIKey | ZFSLOJRJABHMTL-OFNKIYASSA-N |
| External Identifiers | ChEMBL [CHEMBL3758287]; PubChem [641748]; |
| Reference of Component-Ingredient Pair | 13679101 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4084
Formula: C28H32O8
Ingredient ID: TCMC4084
| Common Name | Griffonianone A |
| IUPAC Name | (6aR,12aS)-12a-hydroxy-9-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienoxy]-2,3-dimethoxy-6,6a-dihydrochromeno[3,4-b]chromen-12-one |
| Canonical SMILES | COc1cc2c(cc1OC)OC[C@@H]1[C@]2(O)C(=O)c2c(O1)cc(cc2)OC/C=C(/C/C=C/C(O)(C)C)C |
| Standard InCHI | InChI=1S/C28H32O8/c1-17(7-6-11-27(2,3)30)10-12-34-18-8-9-19-21(13-18)36-25-16-35-22-15-24(33-5)23(32-4)14-20(22)28(25,31)26(19)29/h6,8-11,13-15,25,30-31H,7,12,16H2,1-5H3/b11-6+,17-10+/t25-,28+/m1/s1 |
| Standard InCHIKey | VXBXQMZYISYYKS-XCVVJBLJSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [637100]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3548
Formula: C23H22O6
Ingredient ID: TCMC3548
| Common Name | Barbigerone |
| IUPAC Name | 8,8-dimethyl-3-(2,4,5-trimethoxyphenyl)pyrano[2,3-f]chromen-4-one |
| Canonical SMILES | COc1cc(OC)c(cc1c1coc2c(c1=O)ccc1c2C=CC(O1)(C)C)OC |
| Standard InCHI | InChI=1S/C23H22O6/c1-23(2)9-8-13-17(29-23)7-6-14-21(24)16(12-28-22(13)14)15-10-19(26-4)20(27-5)11-18(15)25-3/h6-12H,1-5H3 |
| Standard InCHIKey | OBIUGMGQVQMVSK-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL3311038]; PubChem [156793]; |
| Reference of Component-Ingredient Pair | 29368443 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2777
Formula: C16H16O4
Ingredient ID: TCMC2777
| Common Name | Vestitol |
| IUPAC Name | (3R)-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol |
| Canonical SMILES | COc1ccc(c(c1)O)[C@@H]1COc2c(C1)ccc(c2)O |
| Standard InCHI | InChI=1S/C16H16O4/c1-19-13-4-5-14(15(18)8-13)11-6-10-2-3-12(17)7-16(10)20-9-11/h2-5,7-8,11,17-18H,6,9H2,1H3/t11-/m0/s1 |
| Standard InCHIKey | XRVFNNUXNVWYTI-NSHDSACASA-N |
| External Identifiers | ChEMBL [CHEMBL479145]; PubChem [182259]; |
| Reference of Component-Ingredient Pair | 29377427 |
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 |
| TCMH128 | Castanea mollissima | Ban Li Ke | 板栗壳 |
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
| TCMH1899 | Glycyrrhiza uralensis | Sheng Gan Cao | 生甘草 |
| TCMH2135 | Glycyrrhiza uralensis | Tu Gan Cao | 土甘草 |
| TCMH469 | Spatholobus suberectus | Dian Ji Xue Teng Gao Fen | 滇鸡血藤膏粉 |
| TCMH628 | Glycyrrhiza uralensis | Gan Cao | 甘草 |
| TCMH629 | Glycyrrhiza uralensis | Gan Cao Fen | 甘草粉 |
Showing 1 to 10 of 17 entries
Ingredient ID: TCMC2422
Formula: C30H24O11
Ingredient ID: TCMC2422
| Common Name | Geranin B |
| IUPAC Name | n.a. |
| Canonical SMILES | Oc1cc(O)c2c(c1)O[C@@]1([C@@H]([C@H]2c2c(O1)cc(c1c2O[C@H](c2ccc(cc2)O)[C@H](C1)O)O)O)c1ccc(c(c1)O)O |
| Standard InCHI | InChI=1S/C30H24O11/c31-14-4-1-12(2-5-14)27-21(37)10-16-18(34)11-23-25(28(16)39-27)26-24-20(36)8-15(32)9-22(24)40-30(41-23,29(26)38)13-3-6-17(33)19(35)7-13/h1-9,11,21,26-27,29,31-38H,10H2/t21-,26+,27+,29+,30-/m0/s1 |
| Standard InCHIKey | GVKLXAPXNKDQGB-TXZJYACMSA-N |
| External Identifiers | ChEMBL [CHEMBL499587]; PubChem [44566353]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2111
Formula: C4H6O4
Ingredient ID: TCMC2111
| Common Name | Succinic Acid |
| IUPAC Name | butanedioic acid |
| Canonical SMILES | OC(=O)CCC(=O)O |
| Standard InCHI | InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8) |
| Standard InCHIKey | KDYFGRWQOYBRFD-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL576]; PubChem [1110]; |
| Reference of Component-Ingredient Pair | 29968805 |
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 |
| TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
| TCMH103 | Thesium chinense | Bai Rui Cao | 百蕊草 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| 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 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| TCMH1122 | Psammosilene tunicoides | Jin Tie Suo | 金铁锁 |
Showing 1 to 10 of 90 entries
Ingredient ID: TCMC1959
Formula: C16H10O5
Ingredient ID: TCMC1959
| Common Name | Pseudobaptogenin |
| IUPAC Name | 3-(1,3-benzodioxol-5-yl)-7-hydroxychromen-4-one |
| Canonical SMILES | Oc1ccc2c(c1)occ(c2=O)c1ccc2c(c1)OCO2 |
| Standard InCHI | InChI=1S/C16H10O5/c17-10-2-3-11-14(6-10)19-7-12(16(11)18)9-1-4-13-15(5-9)21-8-20-13/h1-7,17H,8H2 |
| Standard InCHIKey | KNJNBKINYHZUGC-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL486176]; PubChem [5281805]; |
| 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 |
| TCMH2252 | Agrimonia pilosa var. japonica | Xian He Cao | 仙鹤草 |
| TCMH2253 | Agrimonia pilosa var. japonica | Xian He Cao Jin Gao Fen | 仙鹤草浸膏粉 |
| TCMH469 | Spatholobus suberectus | Dian Ji Xue Teng Gao Fen | 滇鸡血藤膏粉 |
| TCMH538 | Oxytropis falcata | E Da Xia | 莪大夏 |
| TCMH79 | Sinapis alba | Bai Jie Zi | 白芥子 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC1958
Formula: C16H12O5
Ingredient ID: TCMC1958
| Common Name | Prunetin |
| IUPAC Name | 5-hydroxy-3-(4-hydroxyphenyl)-7-methoxychromen-4-one |
| Canonical SMILES | COc1cc(O)c2c(c1)occ(c2=O)c1ccc(cc1)O |
| Standard InCHI | InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3 |
| Standard InCHIKey | KQMVAGISDHMXJJ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL491174]; PubChem [5281804]; |
| Reference of Component-Ingredient Pair | 22256759 |
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 |
| TCMH1068 | Dalbergia odorifera | Jiang Xiang | 降香 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1519 | Oroxylum indicum | Mu Hu Die | 木蝴蝶 |
| TCMH2322 | Prunus armeniaca | Xing Ren | 杏仁 |
| TCMH469 | Spatholobus suberectus | Dian Ji Xue Teng Gao Fen | 滇鸡血藤膏粉 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC1782
Formula: C17H14O6
Ingredient ID: TCMC1782
| Common Name | Odoratin |
| IUPAC Name | 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-methoxychromen-4-one |
| Canonical SMILES | COc1ccc(cc1O)c1coc2c(c1=O)cc(c(c2)O)OC |
| Standard InCHI | InChI=1S/C17H14O6/c1-21-14-4-3-9(5-12(14)18)11-8-23-15-7-13(19)16(22-2)6-10(15)17(11)20/h3-8,18-19H,1-2H3 |
| Standard InCHIKey | BYNYZQQDQIQLSO-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL469824]; PubChem [13965473]; |
| Reference of Component-Ingredient Pair | 19441007 |
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 |
| TCMH469 | Spatholobus suberectus | Dian Ji Xue Teng Gao Fen | 滇鸡血藤膏粉 |
| TCMH981 | Astragalus membranaceus | Huang Qi | 黄芪 |
| TCMH983 | Astragalus membranaceus | Huang Qi Gan Jin Gao | 黄芪干浸膏 |
| TCMH984 | Astragalus membranaceus | Huang Qi Jin Gao | 黄芪浸膏 |
| TCMH985 | Astragalus membranaceus | Huang Qi Ti Qu Ye | 黄芪提取液 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC178
Formula: C15H12O4
Ingredient ID: TCMC178
| Common Name | (Z)-1-(2,4-Dihydroxyphenyl)-3-(4-Hydroxyphenyl)Prop-2-En-1-One |
| IUPAC Name | (Z)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one |
| Canonical SMILES | Oc1ccc(cc1)/C=CC(=O)c1ccc(cc1O)O |
| Standard InCHI | InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3- |
| Standard InCHIKey | DXDRHHKMWQZJHT-BAQGIRSFSA-N |
| External Identifiers | ChEMBL [CHEMBL1395334]; PubChem [6603886]; |
| 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 |
| TCMH1068 | Dalbergia odorifera | Jiang Xiang | 降香 |
| TCMH1383 | Onobrychis viciifolia | Lv Dou | 绿豆 |
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
| TCMH1899 | Glycyrrhiza uralensis | Sheng Gan Cao | 生甘草 |
| TCMH1973 | Panicum miliaceum | Shu Mi | 秫米 |
| TCMH2135 | Glycyrrhiza uralensis | Tu Gan Cao | 土甘草 |
| TCMH312 | Sedum sarmentosum | Chui Pen Cao | 垂盆草 |
Showing 1 to 10 of 22 entries
Ingredient ID: TCMC1482
Formula: C21H22O4
Ingredient ID: TCMC1482
| Common Name | Licoagrochacone A |
| IUPAC Name | (E)-3-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one |
| Canonical SMILES | C=CC(c1cc(/C=C/C(=O)c2ccc(cc2)O)c(cc1O)OC)(C)C |
| Standard InCHI | InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ |
| Standard InCHIKey | KAZSKMJFUPEHHW-DHZHZOJOSA-N |
| External Identifiers | ChEMBL [CHEMBL139702]; PubChem [5318998]; |
| 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 |
| 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 |
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
| TCMH1899 | Glycyrrhiza uralensis | Sheng Gan Cao | 生甘草 |
| TCMH2135 | Glycyrrhiza uralensis | Tu Gan Cao | 土甘草 |
| TCMH2137 | Pogostemon cablin | Tu Huo Xiang | 土藿香 |
| TCMH469 | Spatholobus suberectus | Dian Ji Xue Teng Gao Fen | 滇鸡血藤膏粉 |
Showing 1 to 10 of 21 entries
Ingredient ID: TCMC1373
Formula: C10H12N4O5
Ingredient ID: TCMC1373
| Common Name | Inosine |
| IUPAC Name | 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one |
| Canonical SMILES | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2O |
| Standard InCHI | InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1 |
| Standard InCHIKey | UGQMRVRMYYASKQ-KQYNXXCUSA-N |
| External Identifiers | ChEMBL [CHEMBL1556]; PubChem [6021]; |
| 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 |
| 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 |
| TCMH1626 | Fritillaria ussuriensis | Ping Bei Mu | 平贝母 |
| TCMH1677 | Pinellia ternata | Qing Ban Xia | 清半夏 |
| TCMH1734 | Homo sapiens | Ren Zhong Bai | 人中白 |
Showing 1 to 10 of 20 entries
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1373 | C10H12N4O5 | Inosine | 268.08 | -1.9895 | 1.57 | -1.742 | 8 | 4 | 133.75 | 6 | 3 | 19 | 0 |
| TCMC1482 | C21H22O4 | Licoagrochacone A | 338.15 | 0.7466 | 3.33 | 4.443 | 1 | 2 | 66.76 | 11 | 2 | 25 | 0 |
| TCMC178 | C15H12O4 | (Z)-1-(2,4-Dihydroxyphenyl)-3-(4-Hydroxyphenyl)Prop-2-En-1-One | 256.07 | -1.2836 | 2.67 | 2.764 | 1 | 3 | 77.76 | 6 | 2 | 19 | 0 |
| TCMC1782 | C17H14O6 | Odoratin | 314.08 | -1.6909 | 2.67 | 1.587 | 1 | 2 | 85.22 | 7 | 3 | 23 | 0 |
| TCMC1958 | C16H12O5 | Prunetin | 284.07 | -1.6391 | 2.67 | 2.031 | 1 | 2 | 75.99 | 5 | 3 | 21 | 0 |
| TCMC1959 | C16H10O5 | Pseudobaptogenin | 282.05 | -1.4297 | 2.67 | 2.477 | 1 | 1 | 64.99 | 2 | 4 | 21 | 0 |
| TCMC2111 | C4H6O4 | Succinic Acid | 118.03 | -0.41 | 1.46 | -0.71 | 4 | 2 | 74.6 | 5 | 0 | 8 | 0 |
| TCMC2422 | C30H24O11 | Geranin B | 560.13 | -4.3444 | 3.55 | 1.139 | 2 | 8 | 189.53 | 10 | 7 | 41 | 1 |
| TCMC2777 | C16H16O4 | Vestitol | 272.1 | -1.0998 | 2.78 | 2.326 | 0 | 2 | 58.92 | 5 | 3 | 20 | 0 |
| TCMC3548 | C23H22O6 | Barbigerone | 394.1416384 | 0.5983 | 3.33 | 3.219 | 1 | 0 | 53.99 | 4 | 4 | 29 | 0 |
Showing 1 to 10 of 30 entries
Download Data
All data can be downloaded by:→ Selecting data type in the below download table
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