| Phytochemical Name : Ethanone, 1-(5,7,8-trimethoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)- |
| PCNDIDE0074 |
| Pubchem CID : 624052 |
| Molecular formula: C16H20O5 |
| Canonical SMILES : CC(=O)C1=C(C2=C(C(=C1OC)OC)OC(C=C2)(C)C)OC |
Synonymes : Evodione|482-07-5|DTXSID701176514|Ethanone, 1-(5,7,8-trimethoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-|6-acetyl-5,7,8-trimethoxy-2,2-dimethyl-2h-1-benzopyran|1-(5,7,8-Trimethoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethanone|1-(5,7,8-Trimethoxy-2,2-dimethyl-2H-chromen-6-yl)ethanone #|Ketone, methyl 5,7,8-trimethoxy-2,2-dimethyl-2H-1-benzopyran-6-yl |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 3.240 |
| Log Po/w (XLOGP3) : 2.440 |
| Log Po/w (WLOGP) : 2.990 |
| Log Po/w (MLOGP) : 1.120 |
| Log Po/w (SILICOS-IT) : 3.320 |
| Consensus Log Po/w : 2.620 |