| Compound | Calyxins A |
| NPACT-Id | NPACT00376 |
| IUPAC | (E)-1-[2,4-dihydroxy-3-[(E,1S,5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hept-2-enyl]-6-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one |
| Synonyms | - |
| PubChem Id | 10817087 |
| Class | Flavonoid |
| In-vitro anticancer activity | 2 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | QFJRXXRSLNGSSQ-UCLDVTQQSA-N |
| InChi | 1S/C35H34O8/c1-43-32-21-31(41)33(35(42)34(32)30(40)19-10-24-7-16-28(38)17-8-24)25(11-2-22-3-12-26(36)13-4-22)20-29(39)18-9-23-5-14-27(37)15-6-23/h2-8,10-17,19,21,25,29,36-39,41-42H,9,18,20H2,1H3/b11-2+,19-10+/t25-,29-/m0/s1 |
| SMILES | O[C@H](C[C@@H](c1c(O)c(c(OC)cc1O)C(=O)/C=C/c1ccc(O)cc1)/C=C/c1ccc(O)cc1)CCc1ccc(O)cc1 |
|
SMART | [H]OC1=C([H])C([H])=C(C([H])=C(/[H])C(=O)C2=C(O[H])C(=C(O[H])C([H])=C2OC([H])([H])[H])[C@@]([H])(C([H])=C(/[H])C2=C([H])C([H])=C(O[H])C([H])=C2[H])C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C2=C([H])C([H])=C(O[H])C([H])=C2[H])C([H])=C1[H] |
| CAS No. | 164991-52-0 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | - |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | NA, |
| Drug-Likeliness Filters | Lipinski's rule of five | No |
| Ghose filter | No |
| Veber filter | No |
| Muegge Filter | No |
| Similarity Search | Human metabolite database | FDA approved drugs |