| Compound | Blepharocalyxins A |
| NPACT-Id | NPACT00339 |
| IUPAC | [2,4-dihydroxy-3-[(E,1R,5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hept-2-enyl]-6-methoxyphenyl]-[(2R,3R,4S,6S)-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-6-[2-(4-hydroxyphenyl)ethyl]oxan-3-yl]methanone |
| Synonyms | - |
| PubChem Id | 10819468 |
| 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 | ZSUGETUQFKRFKC-MXKSRXTFSA-N |
| InChi | 1S/C54H54O11/c1-64-48-32-47(61)50(46(36-15-26-43(59)27-16-36)4-2-3-39(55)19-6-34-9-22-41(57)23-10-34)53(63)51(48)52(62)49-38(14-5-33-7-20-40(56)21-8-33)31-45(30-13-35-11-24-42(58)25-12-35)65-54(49)37-17-28-44(60)29-18-37/h2,4-5,7-12,14-18,20-29,32,38-39,4 |
| SMILES | O1[C@H](C[C@H]([C@H]([C@@H]1c1ccc(O)cc1)C(=O)c1c(O)c([C@H](c2ccc(O)cc2)/C=C/C[C@@H](O)CCc2ccc(O)cc2)c(O)cc1OC)/C=C/c1ccc(O)cc1)CCc1ccc(O)cc1 |
|
SMART | [H]OC1=C([H])C([H])=C(C([H])=C(/[H])[C@]2([H])C([H])([H])[C@@]([H])(O[C@@]([H])(C3=C([H])C([H])=C(O[H])C([H])=C3[H])[C@]2([H])C(=O)C2=C(OC([H])([H])[H])C([H])=C(O[H])C(=C2O[H])[C@@]([H])(C([H])=C(/[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])C2=C([H])C([H])=C(O[H])C([H])=C2[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. | 183137-69-1 |
|
Structure
Download | 
|
| 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 |