Component ID |
TCMH1525 |
Latin Name |
Crassostrea gigas |
English Name |
Oyster |
Chinese Pinyin Name |
Mu Li |
中文名 |
牡蛎 |
TCM Properties |
Minor cold,Salty,Punkery |
TCM Meridians |
Liver,Kidney |
Therapeutic Class English |
For calming liver and containing wind |
Therapeutic Class Chinese |
平肝息风 |
Functions |
nourish yin and subdue the overflowing of yang, induce sedation, soften hard masses and eliminate modulation, and arrest discharges |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
Zhejiang Province, Liaoning Province |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
BCMOL364-12 |
Barcode Source |
BOLDSYSTEMS |
Prescription ID | Prescription English Name | Prescription Chinese Name |
---|---|---|
TCMF1655 | Decoction of Cinnamomi, Glycyrrhizae, etc. | 桂枝甘草龙骨牡蛎汤 |
TCMF1954 | Added Flavor GZFL Bolus | 加味桂枝茯苓丸 |
TCMF2146 | Three Skin Pulse Restoring Decoction | 三甲复脉汤 |
TCMF2208 | Vaginal Bleeding Decoction | 固冲汤 |
TCMF2304 | Liver and Stomach Bai He Decoction | 肝胃百合汤 |
TCMF2347 | Tumor Desovling Decoction | |
TCMF2379 | Clearing and Stablizing Period Decoction | 清化宁经汤 |
TCMF2392 | Stagnation Desolving and Yin Nourishing Decoction | 化瘀养阴汤 |
TCMF2410 | Decoction of Bupleuri Add Os Draconis and Concha Ostreae | 柴胡加龙骨牡蛎汤 |
TCMF2427 | Liver Controlling Wind Extinguishing Decoction | 镇肝熄风汤 |
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 |
TCMT125 | GBA | Beta-glucocerebrosidase | Hydrolase | P04062 |
TCMT131 | ACHE | Acetylcholinesterase | Hydrolase | P22303 |
TCMT132 | BCHE | Butyrylcholinesterase | Hydrolase | P06276 |
TCMT158 | EPHX2 | Epoxide hydratase | Lyase | P34913 |
TCMT17 | POLB | DNA polymerase beta | Transferase | P06746 |
TCMT18 | GAA | Lysosomal alpha-glucosidase | Hydrolase | P10253 |
TCMT2 | MAPT | Microtubule-associated protein tau | Unclassified | P10636 |
TCMT223 | AKR1B1 | Aldose reductase | Oxidoreductase | P15121 |
Target ID | Target Name |
---|---|
TCMT1099 | Neuraminidase |
TCMT1108 | Integrase |
TCMT1155 | Farnesyl pyrophosphate synthase |
TCMT1208 | Escherichia coli K12 |
TCMT1212 | Verticillium dahliae |
TCMT1215 | Pseudomonas aeruginosa PAO1 |
TCMT1438 | Plasmodium falciparum |
TCMT1442 | Leishmania donovani |
TCMT1458 | Filobasidiella neoformans |
TCMT1465 | Entamoeba histolytica |
Ingredient ID: TCMC795
Formula: C13H16O10
Common Name | Beta-Glucogallin |
IUPAC Name | [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3,4,5-trihydroxybenzoate |
Canonical SMILES | OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O |
Standard InCHI | InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2/t7-,9-,10+,11-,13+/m1/s1 |
Standard InCHIKey | GDVRUDXLQBVIKP-HQHREHCSSA-N |
External Identifiers | ChEMBL [CHEMBL480283]; PubChem [124021]; |
Reference of Component-Ingredient Pair | 19526787 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
TCMH1475 | Glycyrrhiza uralensis | Mi Gan Cao | 蜜甘草 |
TCMH1525 | Crassostrea gigas | Mu Li | 牡蛎 |
TCMH1681 | Artemisia carvifolia | Qing Hao | 青蒿 |
TCMH1682 | Artemisia carvifolia | Qing Hao Zi | 青蒿子 |
TCMH185 | Phyllanthus niruri | Bing Tang Cao | 冰糖草 |
TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
TCMH1899 | Glycyrrhiza uralensis | Sheng Gan Cao | 生甘草 |
TCMH1965 | Rheum palmatum | Shu Da Huang | 熟大黄 |
TCMH2087 | Grangea maderaspatana | Tian Ji Huang | 田基黄 |
Ingredient ID: TCMC639
Formula: C21H20O10
Common Name | Afzelin |
IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one |
Canonical SMILES | Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O |
Standard InCHI | InChI=1S/C21H20O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-18,21-25,27-28H,1H3/t8-,15-,17+,18+,21-/m0/s1 |
Standard InCHIKey | SOSLMHZOJATCCP-AEIZVZFYSA-N |
External Identifiers | ChEMBL [CHEMBL240528]; PubChem [5316673]; |
Reference of Component-Ingredient Pair | 22667148 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1114 | Herba glechomae longitubae | Jin Qian Cao | 金钱草 |
TCMH1435 | Psychotria serpens | Man Jiu Jie | 蔓九节 |
TCMH1525 | Crassostrea gigas | Mu Li | 牡蛎 |
TCMH1615 | Eriobotrya japonica | Pi Ba Ren | 枇杷仁 |
TCMH1683 | Canarium album | Qing Guo | 青果 |
TCMH1686 | Canarium album | Qing Guo Tan | 青果炭 |
TCMH1830 | Anisodus tanguticus | Shan Lang Dang | 山莨菪 |
TCMH209 | Anisodus tanguticus | Cang Qie Gen | 藏茄根 |
TCMH2220 | Lespedeza virgata | Xi Geng Hu Zhi Zi | 细梗胡枝子 |
TCMH2545 | Houttuynia cordata | Yu Xing Cao | 鱼腥草 |
Ingredient ID: TCMC2031
Formula: C27H30O16
Common Name | Rutin |
IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one |
Canonical SMILES | Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O)c1ccc(c(c1)O)O |
Standard InCHI | InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1 |
Standard InCHIKey | IKGXIBQEEMLURG-NVPNHPEKSA-N |
External Identifiers | ChEMBL [CHEMBL226335]; PubChem [5280805]; |
Reference of Component-Ingredient Pair | 26408079 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
TCMH101 | Chelidonium majus | Bai Qu Cai | 白屈菜 |
TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
TCMH1096 | Inula japonica | Jin Fei Cao | 金沸草 |
TCMH1099 | Gymnema sylvestre | Jin Gang Teng | 金刚藤 |
TCMH1100 | Gymnema sylvestre | Jin Gang Tou | 金刚头 |
TCMH1105 | Trollius chinensis | Jin Lian Hua | 金莲花 |
TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
Ingredient ID: TCMC2018
Formula: C7H11NO7P2
Common Name | Risedronic Acid |
IUPAC Name | hydroxy-(1-hydroxy-1-phosphono-2-pyridin-1-ium-3-ylethyl)phosphinate |
Canonical SMILES | OP(=O)(C(P(=O)(O)O)(Cc1cccnc1)O)O |
Standard InCHI | InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15) |
Standard InCHIKey | IIDJRNMFWXDHID-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL923]; PubChem [44400168]; |
Reference of Component-Ingredient Pair | N/A |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1321 | Os draconis | Long Gu | 龙骨 |
TCMH1344 | Cornu cervi | Lu Jiao | 鹿角 |
TCMH1345 | Pulvis cornu cervi | Lu Jiao Jiao | 鹿角胶 |
TCMH1346 | Cornu cervi degelatinatum | Lu Jiao Shuang | 鹿角霜 |
TCMH142 | Calcitum | Bei Han Shui Shi | 北寒水石 |
TCMH1525 | Crassostrea gigas | Mu Li | 牡蛎 |
TCMH1540 | Calcitum | Nan Han Shui Shi | 南寒水石 |
TCMH1819 | Os corallii | Shan Hu | 珊瑚 |
TCMH1937 | Concha haliotidis | Shi Jue Ming | 石决明 |
TCMH2155 | Concha arcae | Wa Leng | 瓦楞 |
Ingredient ID: TCMC1356
Formula: C21H20O12
Common Name | Hyperoside |
IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
Canonical SMILES | OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@H]1O)O)O |
Standard InCHI | InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1 |
Standard InCHIKey | OVSQVDMCBVZWGM-DTGCRPNFSA-N |
External Identifiers | ChEMBL [CHEMBL251254]; PubChem [5281643]; |
Reference of Component-Ingredient Pair | 27019979 |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
TCMH1099 | Gymnema sylvestre | Jin Gang Teng | 金刚藤 |
TCMH1100 | Gymnema sylvestre | Jin Gang Tou | 金刚头 |
TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
TCMH1223 | Tussilago farfara | Kuan Dong Hua | 款冬花 |
Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
TCMC1356 | C21H20O12 | Hyperoside | 464.1 | -4.8921 | 2.45 | -0.354 | 7 | 8 | 206.6 | 12 | 4 | 33 | 1 |
TCMC2018 | C7H11NO7P2 | Risedronic Acid | 283 | -0.8873 | 1.13 | -3.001 | 8 | 5 | 167.8 | 9 | 1 | 17 | 0 |
TCMC2031 | C27H30O16 | Rutin | 610.15 | -6.139 | 2.67 | -1.188 | 11 | 10 | 265.52 | 17 | 5 | 43 | 2 |
TCMC639 | C21H20O10 | Afzelin | 432.11 | -3.9318 | 2.67 | 0.883 | 6 | 6 | 166.14 | 10 | 4 | 31 | 1 |
TCMC795 | C13H16O10 | Beta-Glucogallin | 332.07 | -3.5251 | 1.79 | -1.304 | 7 | 7 | 177.14 | 11 | 2 | 23 | 1 |