Component ID |
TCMH1038 |
Latin Name |
Spatholobus suberectus |
English Name |
Suberect spatholobus stem |
Chinese Pinyin Name |
Ji Xue Teng Gao |
中文名 |
鸡血藤膏 |
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 |
ITSAK2607-14 |
Barcode Source |
BOLDSYSTEMS |
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 |
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 |
Ingredient ID: TCMC995
Formula: C35H60O6
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 |
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 |
Ingredient ID: TCMC983
Formula: C15H10O4
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 |
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 |
Ingredient ID: TCMC90
Formula: C15H14O7
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 |
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 |
Ingredient ID: TCMC875
Formula: C17H14O5
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 |
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 |
Ingredient ID: TCMC855
Formula: C16H12O5
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 |
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 |
Ingredient ID: TCMC76
Formula: C15H12O7
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 |
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 |
Ingredient ID: TCMC2777
Formula: C16H16O4
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 |
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 |
Ingredient ID: TCMC2422
Formula: C30H24O11
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 |
Ingredient ID: TCMC2111
Formula: C4H6O4
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 |
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 |
Ingredient ID: TCMC1959
Formula: C16H10O5
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 |
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 |
Ingredient ID: TCMC1958
Formula: C16H12O5
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 |
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 |
Ingredient ID: TCMC1782
Formula: C17H14O6
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 |
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 |
Ingredient ID: TCMC178
Formula: C15H12O4
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 |
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 |
Ingredient ID: TCMC1482
Formula: C21H22O4
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 |
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 |
Ingredient ID: TCMC1373
Formula: C10H12N4O5
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 |
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 |
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 |
TCMC76 | C15H12O7 | (2R,3S)-2-(3,4-Dihydroxyphenyl)-3,5,7-Trihydroxy-2,3-Dihydrochromen-4-One | 304.06 | -2.9269 | 2.34 | 0.028 | 2 | 5 | 127.45 | 6 | 3 | 22 | 0 |