| Phytochemical Name : Dihydrocubebin |
| PCNDIDD0127 |
| Pubchem CID : 193042 |
| Molecular formula: C20H22O6 |
| Canonical SMILES : C1OC2=C(O1)C=C(C=C2)CC(CO)C(CC3=CC4=C(C=C3)OCO4)CO |
Synonymes : Dihydrocubebin|(-)-Dihydrocubebin|24563-03-9|(2R,3R)-2,3-bis(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol|CHEMBL486597|CHEBI:543841|1,4-Butanediol, 2,3-bis(1,3-benzodioxol-5-ylmethyl)-, (2R,3R)-|1,4-Butanediol, 2,3-bis(1,3-benzodioxol-5-ylmethyl)-, (R*,R*)-(-)-|1,4-Butanediol, 2,3-bis(1,3-benzodioxol-5-ylmethyl)-, (R-(R*,R*))-|1,4-Butanediol, 2,3-bis(1,3-benzodioxol-5-ylmethyl)-, [R-(R*,R*)]-|Cubebin, dihydro-|D00TOF|SCHEMBL15775181|DTXSID00179301|BDBM50241937|1,4-Butanediol, 2,3-dipiperonyl-, (-)-|Q27105171|(2R,3R)-2,3-bis(Benzo[d][1,3]dioxol-5-ylmethyl)butane-1,4-diol |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.170 |
| Log Po/w (XLOGP3) : 1.810 |
| Log Po/w (WLOGP) : 0.050 |
| Log Po/w (MLOGP) : -1.610 |
| Log Po/w (SILICOS-IT) : 0.350 |
| Consensus Log Po/w : 0.550 |