| Phytochemical Name : Isoguaiacin |
| PCNDIDI0077 |
| Pubchem CID : 10314441 |
| Molecular formula: C20H24O4 |
| Canonical SMILES : CC1CC2=CC(=C(C=C2C(C1C)C3=CC(=C(C=C3)O)OC)O)OC |
Synonymes : isoguaiacin|(-)-isoguaiacin|F803X9JE3W|78341-26-1|UNII-F803X9JE3W|CHEBI:68174|(6R,7R,8R)-5,6,7,8-Tetrahydro-8-(4-hydroxy-3-methoxyphenyl)-3-methoxy-6,7-dimethyl-2-naphthalenol|(6R,7R,8R)-8-(4-hydroxy-3-methoxyphenyl)-3-methoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol|2-Naphthalenol, 5,6,7,8-tetrahydro-8-(4-hydroxy-3-methoxyphenyl)-3-methoxy-6,7-dimethyl-, (6R-(6alpha,7alpha,8beta))-|CHEMBL482239|Q27136666|2-NAPHTHALENOL, 5,6,7,8-TETRAHYDRO-8-(4-HYDROXY-3-METHOXYPHENYL)-3-METHOXY-6,7-DIMETHYL-, (6R-(6.ALPHA.,7.ALPHA.,8.BETA.))- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.390 |
| Log Po/w (XLOGP3) : 4.490 |
| Log Po/w (WLOGP) : 4.080 |
| Log Po/w (MLOGP) : 2.810 |
| Log Po/w (SILICOS-IT) : 3.750 |
| Consensus Log Po/w : 3.700 |