| Compound | Neocalyxins A |
| NPACT-Id | NPACT00804 |
| IUPAC | - |
| Synonyms | - |
| PubChem Id | 21588173 |
| 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 | JKOQQSVLZXLHME-BGNPVGGSSA-N |
| InChi | 1S/C28H26O7/c1-32-23-14-24-25(27-26(23)21(31)13-22(34-27)16-5-9-18(30)10-6-16)20-12-19(33-28(20)35-24)11-4-15-2-7-17(29)8-3-15/h2-3,5-10,14,19-20,22,28-30H,4,11-13H2,1H3/t19-,20-,22?,28+/m0/s1 |
| SMILES | O1[C@@H]2Oc3c([C@@H]2C[C@@H]1CCc1ccc(O)cc1)c1O[C@@H](CC(=O)c1c(OC)c3)c1ccc(O)cc1 |
|
SMART | [H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])[C@]1([H])O[C@]2([H])OC3=C([H])C(OC([H])([H])[H])=C4C(O[C@]([H])(C5=C([H])C([H])=C(O[H])C([H])=C5[H])C([H])([H])C4=O)=C3[C@]2([H])C1([H])[H] |
| CAS No. | 332877-86-8 |
|
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 | Yes |
| Ghose filter | Yes |
| Veber filter | Yes |
| Muegge Filter | Yes |
| Similarity Search | Human metabolite database | FDA approved drugs |