| Phytochemical Name : Cubebinone |
| PCNDIDC0280 |
| Pubchem CID : 91724200 |
| Molecular formula: C23H26O8 |
| Canonical SMILES : COC1=CC(=CC2=C1OCO2)CC3C(COC3=O)CC4=CC(=C(C(=C4)OC)OC)OC |
Synonymes : Cubebinone|CHEBI:191784|DTXSID801109271|(3R,4R)-3-((7-Methoxybenzo[d][1,3]dioxol-5-yl)methyl)-4-(3,4,5-trimethoxybenzyl)dihydrofuran-2(3H)-one|(3R,4R)-3-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one|(3R,4R)-Dihydro-3-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]-2(3H)-furanone|101751-71-7|2(3H)-Furanone, dihydro-3-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]-, (3R,4R)-|2(3H)-Furanone, dihydro-3-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]-, (3R-trans)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.380 |
| Log Po/w (XLOGP3) : 3.730 |
| Log Po/w (WLOGP) : 3.020 |
| Log Po/w (MLOGP) : 1.910 |
| Log Po/w (SILICOS-IT) : 4.410 |
| Consensus Log Po/w : 3.290 |