| Compound | Demethylencecalin |
| NPACT-Id | NPACT00491 |
| IUPAC | 1-(7-hydroxy-2,2-dimethylchromen-6-yl)ethanone |
| Synonyms | Eupatoriochromene; 1-(7-hydroxy-2,2-dimethyl-2H-chromen-6-yl)ethanone; 1-(7-hydroxy-2,2-dimethyl-2H-chromen-6-yl)-ethanone |
| PubChem Id | 100768 |
| 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 | SVUVYHFYZBCYRF-UHFFFAOYSA-N |
| InChi | 1S/C13H14O3/c1-8(14)10-6-9-4-5-13(2,3)16-12(9)7-11(10)15/h4-7,15H,1-3H3 |
| SMILES | O1C(C=Cc2c1cc(O)c(c2)C(=O)C)(C)C |
|
SMART | [H]OC1=C(C([H])=C2C([H])=C([H])[C@@](OC2=C1[H])(C([H])([H])[H])C([H])([H])[H])C(=O)C([H])([H])[H] |
| CAS No. | 19013-03-7 |
|
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, ChemFrog, 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 |