| Phytochemical Name : Encecalin |
| PCNDIDE0023 |
| Pubchem CID : 114703 |
| Molecular formula: C14H16O3 |
| Canonical SMILES : CC(=O)C1=C(C=C2C(=C1)C=CC(O2)(C)C)OC |
Synonymes : Encecalin|20628-09-5|1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanone|Encecalin (methyleupatoriochromene)|CHEBI:4789|Ketone, 7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl methyl|NSC 603929|1-(7-Methoxy-2,2-dimethyl-2H-chromen-6-yl)ethan-1-one|1-(7-Methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethanone; Encecalin; NSC 603929|1-(7-methoxy-2,2-dimethyl-2h-chromen-6-yl)ethanone|AC1L3FTK|AC1Q5GA2|Encecaline|6-acetyl-7-methoxy-2,2-dimethylchromene|CHEMBL451983|MEGxp0_001567|SCHEMBL4310132|ACon1_002222|DTXSID90942824|NSC603929|AKOS032948499|NSC-603929|C09005|1-(7-methoxy-2,2-dimethyl-chromen-6-yl)ethanone|Q27106480|1-(7-Methoxy-2,2-dimethyl-2H-chromen-6-yl)-ethanone|1-(7-Methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethanone|1-(7-Methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethan-1-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.620 |
| Log Po/w (XLOGP3) : 2.500 |
| Log Po/w (WLOGP) : 2.970 |
| Log Po/w (MLOGP) : 1.760 |
| Log Po/w (SILICOS-IT) : 3.200 |
| Consensus Log Po/w : 2.610 |