| Compound | chicoric acid |
| NPACT-Id | NPACT01167 |
| IUPAC | - |
| Synonyms | Dicaffeoyl-D-tartaric acid;(1S,2S)-1,2-Bis(3-(3,4-dihydroxyphenyl)prop-2-enoyloxy)ethane-1,2-dicarboxylic acid;Butanedioic acid, 2,3-bis(((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-, (2S,3S)-; |
| PubChem Id | 5470299 |
| Class | Lignans |
| In-vitro anticancer activity | 1 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | YDDGKXBLOXEEMN-QFZCZCNSSA-N |
| InChi | 1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3+,8-4+/t19-,20-/m0/s1 |
| SMILES | O([C@@H]([C@H](OC(=O)/C=C/c1cc(O)c(O)cc1)C(=O)O)C(=O)O)C(=O)/C=C/c1cc(O)c(O)cc1 |
|
SMART | [H]OC(=O)[C@@]([H])(OC(=O)C([H])=C(/[H])C1=C([H])C(O[H])=C(O[H])C([H])=C1[H])[C@]([H])(OC(=O)C([H])=C(/[H])C1=C([H])C(O[H])=C(O[H])C([H])=C1[H])C(=O)O[H] |
| CAS No. | 52248-48-3 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C100435 |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | ABI Chem, |
| Drug-Likeliness Filters | Lipinski's rule of five | No |
| Ghose filter | Yes |
| Veber filter | No |
| Muegge Filter | No |
| Similarity Search | Human metabolite database | FDA approved drugs |