| Phytochemical Name : 2-Benzo[1,3]dioxol-5-yl-5,7-dimethoxy-chroman |
| PCNDIDOT0575 |
| Pubchem CID : 636811 |
| Molecular formula: C18H18O5 |
| Canonical SMILES : COC1=CC2=C(CCC(O2)C3=CC4=C(C=C3)OCO4)C(=C1)OC |
Synonymes : 2-Benzo[1,3]dioxol-5-yl-5,7-dimethoxy-chroman|3',4'-Methylenedioxy-5,7-dimethoxyflavan|(2S)-3',4'-Methylenedioxy-5,7-dimethoxyflavan|2-(1,3-benzodioxol-5-yl)-5,7-dimethoxychromane|2H-1-benzopyran, 2-(1,3-benzodioxol-5-yl)-3,4-dihydro-5,7-dimethoxy-, (2S)- |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 3.570 |
| Log Po/w (XLOGP3) : 3.570 |
| Log Po/w (WLOGP) : 3.170 |
| Log Po/w (MLOGP) : 2.190 |
| Log Po/w (SILICOS-IT) : 3.770 |
| Consensus Log Po/w : 3.250 |