| Compound | Obovatifol |
| NPACT-Id | NPACT00822 |
| IUPAC | 5-prop-2-enyl-3-(4-prop-2-enylphenoxy)benzene-1,2-diol |
| Synonyms | Obovatol;1,2-Benzenediol,5-(2-propenyl)-3-(4-(2-propenyl)phenoxy)-;obovator;4',5-Diallyl-2,3-dihydroxybiphenyl ether ;5-prop-2-enyl-3-(4-prop-2-enylphenoxy)benzene-1,2-diol |
| PubChem Id | 100771 |
| Class | Lignans |
| In-vitro anticancer activity | 4 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | OPGPFZQBCIAFLI-UHFFFAOYSA-N |
| InChi | 1S/C18H18O3/c1-3-5-13-7-9-15(10-8-13)21-17-12-14(6-4-2)11-16(19)18(17)20/h3-4,7-12,19-20H,1-2,5-6H2 |
| SMILES | O(c1cc(CC=C)cc(O)c1O)c1ccc(CC=C)cc1 |
|
SMART | [H]OC1=C(O[H])C(OC2=C([H])C([H])=C(C([H])=C2[H])C([H])([H])C([H])=C([H])[H])=C([H])C(=C1[H])C([H])([H])C([H])=C(/[H])[H] |
| CAS No. | 214197-14-5 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | - |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | AAA Chemistry, ABI Chem, Kingston Chemistry, |
| Drug-Likeliness Filters | Lipinski's rule of five | No |
| Ghose filter | Yes |
| Veber filter | Yes |
| Muegge Filter | No |
| Similarity Search | Human metabolite database | FDA approved drugs |