| Compound | Encecalin |
| NPACT-Id | NPACT00526 |
| IUPAC | 1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanone |
| Synonyms | Encecalin (methyleupatoriochromene); 1-(7-methoxy-2,2-dimethyl-2h-chromen-6-yl)ethanone |
| PubChem Id | 114703 |
| Class | Benzopyranoids |
| In-vitro anticancer activity | 3 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | WXVLCNREBFDEKS-UHFFFAOYSA-N |
| InChi | 1S/C14H16O3/c1-9(15)11-7-10-5-6-14(2,3)17-12(10)8-13(11)16-4/h5-8H,1-4H3 |
| SMILES | O1C(C=Cc2c1cc(OC)c(c2)C(=O)C)(C)C |
|
SMART | [H]C1=C([H])[C@@](OC2=C([H])C(OC([H])([H])[H])=C(C([H])=C12)C(=O)C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H] |
| CAS No. | 20628-09-5 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | - |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | AAA Chemistry, ABI Chem, Ambinter, Kingston Chemistry, ZINC, |
| 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 |