Component ID |
TCMH962 |
Latin Name |
Hemerocallis citrina |
English Name |
NA |
Chinese Pinyin Name |
Huang Hua |
中文名 |
黄花 |
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 |
|
Barcode Source |
Target ID | Gene Symbol | Target Name | Target Class | Uniprot ID |
---|---|---|---|---|
TCMT133 | CA1 | Carbonic anhydrase I | Lyase | P00915 |
TCMT134 | CA2 | Carbonic anhydrase II | Lyase | P00918 |
TCMT136 | CA12 | Carbonic anhydrase XII | Lyase | O43570 |
TCMT137 | CA9 | Carbonic anhydrase IX | Lyase | Q16790 |
TCMT138 | CA7 | Carbonic anhydrase VII | Lyase | P43166 |
TCMT2 | MAPT | Microtubule-associated protein tau | Unclassified | P10636 |
TCMT225 | CA13 | Carbonic anhydrase XIII | Lyase | Q8N1Q1 |
TCMT3 | ALOX15 | Arachidonate 15-lipoxygenase | Oxidoreductase | P16050 |
TCMT31 | CYP2C19 | Cytochrome P450 2C19 | Oxidoreductase | P33261 |
TCMT8 | KDM4E | Lysine-specific demethylase 4D-like | Oxidoreductase | B2RXH2 |
Ingredient ID: TCMC255
Formula: C15H12O4
Common Name | 1,8-Dihydroxy-3-Methyl-4A,9A-Dihydroanthracene-9,10-Dione |
IUPAC Name | 1,8-dihydroxy-3-methyl-4a,9a-dihydroanthracene-9,10-dione |
Canonical SMILES | CC1=CC2C(C(=C1)O)C(=O)c1c(C2=O)cccc1O |
Standard InCHI | InChI=1S/C15H12O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,9,13,16-17H,1H3 |
Standard InCHIKey | RJOOIZGQOJJWMS-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL443640]; PubChem [24867638]; |
Reference of Component-Ingredient Pair | N/A |
Component ID | Latin Name | Pinyin Name | Chinese Name |
---|---|---|---|
TCMH1199 | Cassia tora | Jue Ming Zi | 决明子 |
TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
TCMH1584 | Achyranthes bidentata | Niu Teng | 牛藤 |
TCMH1588 | Achyranthes bidentata | Niu Xi | 牛膝 |
TCMH1589 | Rumex patientia | Niu Xi Xi | 牛西西 |
TCMH1657 | Radix moghaniae philippinensis | Qian Jin Ba | 千斤拔 |
TCMH1904 | Radix et rhizoma rhei | Sheng Jin Wen | 生锦纹 |
TCMH1905 | Radix et rhizoma rhei | Sheng Jun | 生军 |
TCMH1963 | Caulis polygoni multiflori | Shou Wu Teng | 首乌藤 |
TCMH1965 | Rheum palmatum | Shu Da Huang | 熟大黄 |
Ingredient ID: TCMC1191
Formula: C16H18O10
Common Name | Fraxine |
IUPAC Name | 7-hydroxy-6-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one |
Canonical SMILES | OC[C@H]1O[C@@H](Oc2c(O)c(OC)cc3c2oc(=O)cc3)[C@@H]([C@H]([C@@H]1O)O)O |
Standard InCHI | InChI=1S/C16H18O10/c1-23-7-4-6-2-3-9(18)25-14(6)15(11(7)20)26-16-13(22)12(21)10(19)8(5-17)24-16/h2-4,8,10,12-13,16-17,19-22H,5H2,1H3/t8-,10-,12+,13-,16+/m1/s1 |
Standard InCHIKey | CRSFLLTWRCYNNX-QBNNUVSCSA-N |
External Identifiers | ChEMBL [CHEMBL293864]; PubChem [5273568]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID: TCMC1188
Formula: C10H8O5
Common Name | Fraxetin |
IUPAC Name | 7,8-dihydroxy-6-methoxychromen-2-one |
Canonical SMILES | COc1cc2ccc(=O)oc2c(c1O)O |
Standard InCHI | InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3 |
Standard InCHIKey | HAVWRBANWNTOJX-UHFFFAOYSA-N |
External Identifiers | ChEMBL [CHEMBL54909]; PubChem [5273569]; |
Reference of Component-Ingredient Pair | N/A |
Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
TCMC1188 | C10H8O5 | Fraxetin | 208.04 | -0.7024 | 2.01 | 0.554 | 1 | 2 | 75.99 | 4 | 2 | 15 | 0 |
TCMC1191 | C16H18O10 | Fraxine | 370.09 | -2.4493 | 2.12 | -0.983 | 6 | 5 | 155.14 | 10 | 3 | 26 | 0 |
TCMC255 | C15H12O4 | 1,8-Dihydroxy-3-Methyl-4A,9A-Dihydroanthracene-9,10-Dione | 256.07 | -0.4584 | 2.67 | 0.487 | 3 | 2 | 74.6 | 3 | 3 | 19 | 0 |