| Phytochemical Name : Cubebin |
| PCNDIDC0277 |
| Pubchem CID : 117443 |
| Molecular formula: C20H20O6 |
| Canonical SMILES : C1C(C(C(O1)O)CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5 |
Synonymes : Cubebin|(-)-Cubebin|18423-69-3|beta-cubebin|.beta.-Cubebin|Tetrahydro-3,4-dipiperonylfuran-2-ol|(2s,3r,4r)-3,4-bis(1,3-benzodioxol-5-ylmethyl)tetrahydrofuran-2-ol|EINECS 242-300-6|2-Furanol, 3,4-bis(1,3-benzodioxol-5-ylmethyl)tetrahydro-|(8R,8'R,9S)-cubebin|AI3-62265|CHEMBL399831|UNII-J237078S8A|CHEBI:65684|J237078S8A|2-Furanol, tetrahydro-3,4-dipiperonyl-|Cubebine|9-Hydroxy-3,4:3',4'-bis(methylenedioxy)-9,9'-epoxylignan|(2S,3R,4R)-3,4-Bis(1,3-benzodioxol-5-ylmethyl)tetrahydro-2-furanol|3,4-bis(2H-1,3-benzodioxol-5-ylmethyl)oxolan-2-ol|CUBEBIN [MI]|D0NC3P|3,4-Bis[(1,3-benzodioxole-5-yl)methyl]tetrahydrofuran-2-ol|SCHEMBL4884683|DTXSID101031063|(2S,3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)oxolan-2-ol|BDBM50241264|LS-183105|Q27134167|(2S,3R,4R)-3,4-bis(benzo[d][1,3]dioxol-5-ylmethyl)-tetrahydrofuran-2-ol|(2S,3R,4R)-3,4-bis(benzo[d][1,3]dioxol-5-ylmethyl)tetrahydrofuran-2-ol|2-Furanol, 3,4-bis(1,3-benzodioxol-5-ylmethyl)tetrahydro-, (2S,3R,4R)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.770 |
| Log Po/w (XLOGP3) : 3.380 |
| Log Po/w (WLOGP) : 2.510 |
| Log Po/w (MLOGP) : 2.380 |
| Log Po/w (SILICOS-IT) : 3.460 |
| Consensus Log Po/w : 2.900 |