| Phytochemical Name : Enterodiol |
| PCNDIDE0026 |
| Pubchem CID : 115089 |
| Molecular formula: C18H22O4 |
| Canonical SMILES : C1=CC(=CC(=C1)O)CC(CO)C(CC2=CC(=CC=C2)O)CO |
Synonymes : Enterodiol|(-)-Enterodiol|80226-00-2|rac Enterodiol|(2R,3R)-2,3-bis[(3-hydroxyphenyl)methyl]butane-1,4-diol|BZF4X2AWRP|UNII-BZF4X2AWRP|CCRIS 8460|DTXSID0047876|CHEBI:81556|(+/-)-Enterodiol|1,4-Butanediol, 2,3-bis((3-hydroxyphenyl)methyl)-, (2R,3R)-|77756-22-0|1,4-Butanediol, 2,3-bis((3-hydroxyphenyl)methyl)-, (R-(R*,R*))-|Arbo 9|(2R,3R)-2,3-BIS((3-HYDROXYPHENYL)METHYL)BUTANE-1,4-DIOL|SCHEMBL120183|CHEMBL471076|DTXCID0027852|Tox21_200247|AKOS040734363|NCGC00248577-01|NCGC00257801-01|CAS-80226-00-2|HY-108695|LS-188784|CS-0029990|C18166|Q5380230|(2R,3R)-2,3-bis[(3-hydroxyphenyl)methyl]-1,4-Butanediol|[R-(R*,R*)]-2,3-bis[(3-hydroxyphenyl)methyl]-1,4-Butanediol |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.030 |
| Log Po/w (XLOGP3) : 2.570 |
| Log Po/w (WLOGP) : 2.100 |
| Log Po/w (MLOGP) : 2.200 |
| Log Po/w (SILICOS-IT) : 3.180 |
| Consensus Log Po/w : 2.420 |