| Compound | Purpuracenin |
| NPACT-Id | NPACT00888 |
| IUPAC | 3,5,6,7,8-pentamethoxy-2-(2,4,5-trimethoxyphenyl)chromen-4-one |
| Synonyms | 3,5,6,7,8,2',4',5'-Octamethoxyflavone |
| PubChem Id | 340131 |
| Class | Polyketides |
| In-vitro anticancer activity | 6 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | DWKFMLSGCLXYER-UHFFFAOYSA-N |
| InChi | 1S/C23H26O10/c1-25-12-10-14(27-3)13(26-2)9-11(12)17-20(29-5)16(24)15-18(28-4)21(30-6)23(32-8)22(31-7)19(15)33-17/h9-10H,1-8H3 |
| SMILES | o1c2c(c(OC)c(OC)c(OC)c2OC)c(=O)c(OC)c1c1c(OC)cc(OC)c(OC)c1 |
|
SMART | [H]C1=C(OC([H])([H])[H])C(=C([H])C(OC([H])([H])[H])=C1OC([H])([H])[H])C1=C(OC([H])([H])[H])C(=O)C2=C(O1)C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2OC([H])([H])[H] |
| CAS No. | 79105-52-5 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C118554 |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | ABI Chem, |
| 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 |