| Phytochemical Name : 2-Propenal, 3-(2-(3,4-dihydroxyphenyl)-2,3-dihydro-3-(hydroxymethyl)-1,4-benzodioxin-6-yl)- |
| PCNDIDOT0667 |
| Pubchem CID : 5459018 |
| Molecular formula: C18H16O6 |
| Canonical SMILES : C1=CC2=C(C=C1C=CC=O)OC(C(O2)C3=CC(=C(C=C3)O)O)CO |
Synonymes : 69506-79-2|Americanin A|NSC605545|(E)-3-[2-(3,4-dihydroxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]prop-2-enal|2-Propenal, 3-(2-(3,4-dihydroxyphenyl)-2,3-dihydro-3-(hydroxymethyl)-1,4-benzodioxin-6-yl)-|CHEBI:174395|NSC-605545|3-[2-(3,4-Dihydroxyphenyl)-2,3-dihydro-3-hydroxymethyl-1,4-benzodioxin-6-yl]propenal |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.050 |
| Log Po/w (XLOGP3) : 1.730 |
| Log Po/w (WLOGP) : 1.750 |
| Log Po/w (MLOGP) : 0.550 |
| Log Po/w (SILICOS-IT) : 2.460 |
| Consensus Log Po/w : 1.710 |