| Compound | Sumatrol |
| NPACT-Id | NPACT01337 |
| IUPAC | - |
| Synonyms | (1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-5-hydroxy-2-isopropenyl-8,9-dimethoxy- |
| PubChem Id | 442824 |
| Class | Flavonoid |
| In-vitro anticancer activity | 1 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | ZPEHYKMRUBEPSQ-XMCHAPAWSA-N |
| InChi | 1S/C23H22O7/c1-10(2)14-6-12-16(29-14)7-13(24)21-22(25)20-11-5-17(26-3)18(27-4)8-15(11)28-9-19(20)30-23(12)21/h5,7-8,14,19-20,24H,1,6,9H2,2-4H3/t14-,19-,20+/m1/s1 |
| SMILES | O1[C@H]2[C@H](c3c(OC2)cc(OC)c(OC)c3)C(=O)c2c1c1C[C@@H](Oc1cc2O)C(=C)C |
|
SMART | [H]OC1=C([H])C2=C(C3=C1C(=O)[C@@]1([H])C4=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C4OC([H])([H])[C@@]1([H])O3)C([H])([H])[C@@]([H])(O2)C(=C(/[H])[H])C([H])([H])[H] |
| CAS No. | 82-10-0 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | - |
| 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 |