Description of the Component
Component ID |
TCMH128 |
Latin Name |
Castanea mollissima |
English Name |
Chestnut shell |
Chinese Pinyin Name |
Ban Li Ke |
中文名 |
板栗壳 |
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 |
GBVX1897-13 |
Barcode Source |
BOLDSYSTEMS |
Targeted Human Proteins by the Ingredient of Component
| Target ID | Gene Symbol | Target Name | Target Class | Uniprot ID |
|---|---|---|---|---|
| TCMT156 | CYP19A1 | Cytochrome P450 19A1 | Oxidoreductase | P11511 |
| TCMT2 | MAPT | Microtubule-associated protein tau | Unclassified | P10636 |
| TCMT215 | CYP1A1 | Cytochrome P450 1A1 | Oxidoreductase | P04798 |
| TCMT219 | CYP1A2 | Cytochrome P450 1A2 | Oxidoreductase | P05177 |
| TCMT257 | CYP1B1 | Cytochrome P450 1B1 | Oxidoreductase | Q16678 |
| TCMT297 | FABP4 | Fatty acid binding protein adipocyte | Unclassified | P15090 |
| TCMT298 | FABP3 | Fatty acid binding protein muscle | Hydrolase | P05413 |
| TCMT3 | ALOX15 | Arachidonate 15-lipoxygenase | Oxidoreductase | P16050 |
| TCMT327 | TRPV1 | Vanilloid receptor | Ion channel | Q8NER1 |
| TCMT33 | CYP3A4 | Cytochrome P450 3A4 | Oxidoreductase | P08684 |
Showing 1 to 10 of 18 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1176 | Streptococcus pneumoniae |
| TCMT1181 | Mycobacterium tuberculosis H37Ra |
| TCMT1191 | Bacillus megaterium |
| TCMT1214 | Enterococcus faecium |
| TCMT1217 | Bacillus anthracis |
| TCMT1218 | Staphylococcus aureus |
| TCMT1229 | Enterococcus faecalis |
| TCMT1236 | Mycobacterium bovis |
| TCMT1246 | Escherichia coli |
| TCMT1260 | Streptococcus agalactiae |
Showing 1 to 10 of 24 entries
Ingredient Structrues
Ingredient ID: TCMC759
Formula: C22H44O2
Ingredient ID: TCMC759
| Common Name | Behenic Acid |
| IUPAC Name | docosanoic acid |
| Canonical SMILES | CCCCCCCCCCCCCCCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24) |
| Standard InCHIKey | UKMSUNONTOPOIO-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1173474]; PubChem [8215]; |
| 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 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
| TCMH1144 | Schizonepetae herba | Jing Jie Tan | 荆芥炭 |
| TCMH1155 | Allium tuberosum | Jiu Cai | 韭菜 |
| TCMH1176 | Allium tuberosum | Jiu Zi | 韭子 |
| TCMH1211 | Melia azedarach | Ku Lian Pi | 苦楝皮 |
| TCMH1212 | Melia azedarach | Ku Lian Zi | 苦楝子 |
| TCMH1239 | Raphanus sativus | Lai Fu | 莱菔 |
| TCMH1240 | Raphanus sativus | Lai Fu Zi | 莱菔子 |
Showing 1 to 10 of 51 entries
Ingredient ID: TCMC426
Formula: C16H16O2
Ingredient ID: TCMC426
| Common Name | 3,5-O-Dimethylpinosylvin |
| IUPAC Name | 1,3-dimethoxy-5-[(E)-2-phenylethenyl]benzene |
| Canonical SMILES | COc1cc(/C=C/c2ccccc2)cc(c1)OC |
| Standard InCHI | InChI=1S/C16H16O2/c1-17-15-10-14(11-16(12-15)18-2)9-8-13-6-4-3-5-7-13/h3-12H,1-2H3/b9-8+ |
| Standard InCHIKey | BIYGTLDPTJMNET-CMDGGOBGSA-N |
| External Identifiers | ChEMBL [CHEMBL188181]; PubChem [5316874]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH128 | Castanea mollissima | Ban Li Ke | 板栗壳 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1965 | Rheum palmatum | Shu Da Huang | 熟大黄 |
| TCMH2200 | Firmiana simplex | Wu Tong Ye Jin Gao | 梧桐叶浸膏 |
| 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: 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: TCMC2357
Formula: C20H28O3
Ingredient ID: TCMC2357
| Common Name | 15-Hydroxydehydroabietic Acid |
| IUPAC Name | (1R,4aS,10aR)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid |
| Canonical SMILES | OC(=O)[C@]1(C)CCC[C@]2([C@H]1CCc1c2ccc(c1)C(O)(C)C)C |
| Standard InCHI | InChI=1S/C20H28O3/c1-18(2,23)14-7-8-15-13(12-14)6-9-16-19(15,3)10-5-11-20(16,4)17(21)22/h7-8,12,16,23H,5-6,9-11H2,1-4H3,(H,21,22)/t16-,19-,20-/m1/s1 |
| Standard InCHIKey | ILQLITDRYFHAGM-NSISKUIASA-N |
| External Identifiers | ChEMBL [CHEMBL598566]; PubChem [14487943]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH128 | Castanea mollissima | Ban Li Ke | 板栗壳 |
| TCMH1417 | Pinus massoniana | Ma Wei Song Gen | 马尾松根 |
| TCMH1418 | Pinus massoniana | Ma Wei Song Shu Gen | 马尾松树根 |
| TCMH1928 | Asparagus officinalis | Shi Diao Bai | 石刁柏 |
| TCMH2033 | Pinus massoniana | Song Xiang | 松香 |
| TCMH2035 | Pinus massoniana | Song Zhi | 松脂 |
| TCMH2285 | Asparagus officinalis | Xiao Bai Bu | 小百部 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC2207
Formula: CH4N2O
Ingredient ID: TCMC2207
| Common Name | Urea |
| IUPAC Name | urea |
| Canonical SMILES | NC(=N)O |
| Standard InCHI | InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4) |
| Standard InCHIKey | XSQUKJJJFZCRTK-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL985]; PubChem [1176]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2105
Formula: C18H36O2
Ingredient ID: TCMC2105
| Common Name | Stearic Acid |
| IUPAC Name | octadecanoic acid |
| Canonical SMILES | CCCCCCCCCCCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20) |
| Standard InCHIKey | QIQXTHQIDYTFRH-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL46403]; PubChem [5281]; |
| 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 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| 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 |
| TCMH1111 | Polygala glomerata | Jin Niu Cao | 金牛草 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
Showing 1 to 10 of 176 entries
Ingredient ID: TCMC1901
Formula: C15H14O2
Ingredient ID: TCMC1901
| Common Name | Pinosylvin Methyl Ether |
| IUPAC Name | 3-methoxy-5-[(E)-2-phenylethenyl]phenol |
| Canonical SMILES | COc1cc(/C=C/c2ccccc2)cc(c1)O |
| Standard InCHI | InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+ |
| Standard InCHIKey | JVIXPWIEOVZVJC-BQYQJAHWSA-N |
| External Identifiers | ChEMBL [CHEMBL186366]; PubChem [5281719]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH128 | Castanea mollissima | Ban Li Ke | 板栗壳 |
| TCMH1490 | Aster tataricus | Mi Zi Wan | 蜜紫菀 |
| TCMH1622 | Scutellaria baicalensis | Pian Qin | 片芩 |
| TCMH2148 | Cuscuta australis | Tu Si Rou | 菟丝肉 |
| TCMH2149 | Cuscuta australis | Tu Si Zi | 菟丝子 |
| TCMH2150 | Cuscuta australis | Tu Si Zi Teng | 菟丝子藤 |
| TCMH2200 | Firmiana simplex | Wu Tong Ye Jin Gao | 梧桐叶浸膏 |
| TCMH264 | Laggera pterodonta | Chu Ling Dan | 臭灵丹 |
| TCMH265 | Laggera pterodonta | Chu Ling Dan Cao | 臭灵丹草 |
| TCMH2728 | Aster tataricus | Zi Wan | 紫菀 |
Showing 1 to 10 of 16 entries
Ingredient ID: TCMC1898
Formula: C15H12O4
Ingredient ID: TCMC1898
| Common Name | Pinocembrin |
| IUPAC Name | (2S)-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one |
| Canonical SMILES | Oc1cc2O[C@@H](CC(=O)c2c(c1)O)c1ccccc1 |
| Standard InCHI | InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2/t13-/m0/s1 |
| Standard InCHIKey | URFCJEUYXNAHFI-ZDUSSCGKSA-N |
| External Identifiers | ChEMBL [CHEMBL399910]; PubChem [68071]; |
| Reference of Component-Ingredient Pair | 16133333 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1045 | Piper sarmentosum | Jia Ju | 假蒟 |
| TCMH1051 | Piper sarmentosum | Jia 蒟ye | 假蒟叶 |
| TCMH109 | Pulsatilla chinensis | Bai Tou Weng | 白头翁 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH128 | Castanea mollissima | Ban Li Ke | 板栗壳 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1437 | Rhododendron dauricum | Man Shan Hong | 满山红 |
| TCMH1462 | Moschus moschiferus | Mao She Xiang | 毛麝香 |
| TCMH1463 | Moschus moschiferus | Mao She Xiang Jin Gao | 毛麝香浸膏 |
| TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
Showing 1 to 10 of 40 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: TCMC1100
Formula: C20H40O2
Ingredient ID: TCMC1100
| Common Name | Elcosanoic Acid |
| IUPAC Name | icosanoic acid |
| Canonical SMILES | CCCCCCCCCCCCCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22) |
| Standard InCHIKey | VKOBVWXKNCXXDE-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1173381]; PubChem [10467]; |
| 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 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
| TCMH1144 | Schizonepetae herba | Jing Jie Tan | 荆芥炭 |
| TCMH1155 | Allium tuberosum | Jiu Cai | 韭菜 |
| TCMH1176 | Allium tuberosum | Jiu Zi | 韭子 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1185 | Lycium chinense | Gou Qi | 枸杞 |
Showing 1 to 10 of 76 entries
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1100 | C20H40O2 | Elcosanoic Acid | 312.3 | -5.0497 | 3.44 | 9.846 | 2 | 1 | 37.3 | 20 | 0 | 22 | 2 |
| TCMC1830 | C16H32O2 | Palmitic Acid | 256.24 | -3.8977 | 3 | 7.57 | 2 | 1 | 37.3 | 16 | 0 | 18 | 2 |
| TCMC1898 | C15H12O4 | Pinocembrin | 256.07 | -1.3541 | 2.67 | 2.493 | 1 | 2 | 66.76 | 3 | 3 | 19 | 0 |
| TCMC1901 | C15H14O2 | Pinosylvin Methyl Ether | 226.1 | -0.0443 | 2.89 | 5.973 | 0 | 1 | 29.46 | 5 | 2 | 17 | 1 |
| TCMC2105 | C18H36O2 | Stearic Acid | 284.27 | -4.4737 | 3.22 | 8.708 | 2 | 1 | 37.3 | 18 | 0 | 20 | 2 |
| TCMC2207 | CH4N2O | Urea | 60.03 | -0.0745 | 1.24 | -0.235 | 3 | 3 | 70.1 | 2 | 0 | 4 | 0 |
| TCMC2357 | C20H28O3 | 15-Hydroxydehydroabietic Acid | 316.2 | 0.4623 | 3.33 | 5.77 | 3 | 2 | 57.53 | 8 | 3 | 23 | 1 |
| TCMC2777 | C16H16O4 | Vestitol | 272.1 | -1.0998 | 2.78 | 2.326 | 0 | 2 | 58.92 | 5 | 3 | 20 | 0 |
| TCMC426 | C16H16O2 | 3,5-O-Dimethylpinosylvin | 240.12 | 0.3642 | 3 | 6.492 | 0 | 0 | 18.46 | 6 | 2 | 18 | 1 |
| TCMC759 | C22H44O2 | Behenic Acid | 340.33 | -5.6257 | 3.66 | 10.984 | 2 | 1 | 37.3 | 22 | 0 | 24 | 2 |
Showing 1 to 10 of 10 entries
Download Data
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