| Compound | Blepharocalyxins D |
| NPACT-Id | NPACT00342 |
| IUPAC | (E)-1-[2,4-dihydroxy-3-[(2S,3R,4R,6S)-3-[(E,1S,5S)-5-hydroxy-1, |
| Synonyms | - |
| PubChem Id | 9985898 |
| 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 | NEVDYTIAHUSATO-LEGNDWSYSA-N |
| InChi | 1S/C38H40O6/c39-30-13-2-25(3-14-30)1-10-29-23-34(21-8-26-4-15-31(40)16-5-26)43-36-24-35(22-9-27-6-17-32(41)18-7-27)44-38(37(29)36)28-11-19-33(42)20-12-28/h1-7,10-20,29,34-42H,8-9,21-24H2/b10-1+/t29-,34+,35+,36-,37+,38-/m1/s1 |
| SMILES | O1[C@H]2[C@H]([C@@H](C[C@@H]1CCc1ccc(O)cc1)/C=C/c1ccc(O)cc1)[C@H](O[C@H](C2)CCc1ccc(O)cc1)c1ccc(O)cc1 |
|
SMART | [H]OC1=C([H])C([H])=C(C([H])=C(/[H])[C@]2([H])C([H])([H])[C@@]([H])(O[C@]3([H])C([H])([H])[C@@]([H])(O[C@]([H])(C4=C([H])C([H])=C(O[H])C([H])=C4[H])[C@@]23[H])C([H])([H])C([H])([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. | 294855-52-0 |
|
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 | Yes |
| Muegge Filter | No |
| Similarity Search | Human metabolite database | FDA approved drugs |