| Phytochemical Name : Americanol A |
| PCNDIDA0117 |
| Pubchem CID : 637304 |
| Molecular formula: C18H18O6 |
| Canonical SMILES : C1=CC2=C(C=C1C=CCO)OC(C(O2)C3=CC(=C(C=C3)O)O)CO |
Synonymes : Americanol A|Americanol|133838-65-0|4-[(2R,3R)-3-(hydroxymethyl)-6-[(E)-3-hydroxyprop-1-enyl]-2,3-dihydro-1,4-benzodioxin-2-yl]benzene-1,2-diol|1,2-Benzenediol, 4-((2R,3R)-2,3-dihydro-3-(hydroxymethyl)-6-((1E)-3-hydroxy-1-propenyl)-1,4-benzodioxin-2-yl)-, rel-|CHEBI:175211|rel-(7'E)-(7alpha,8beta)-3,4,9,9'-tetrahydroxy-4',7-epoxy-8,3'-oxyneolign-7'-ene|(2R,3R)-3-(3,4-Dihydroxyphenyl)-7-[(E)-3-hydroxy-1-propenyl]-2,3-dihydro-1,4-benzodioxin-2-methanol|1,2-Benzenediol, 4-(2,3-dihydro-3-(hydroxymethyl)-6-(3-hydroxy-1-propenyl)-1,4-benzodioxin-2-yl)-, (2alpha,3beta,6(E))-|1,2-benzenediol, 4-[(2R,3R)-2,3-dihydro-3-(hydroxymethyl)-6-[(1E)-3-hydroxy-1-propenyl]-1,4-benzodioxin-2-yl]-|4-[(2R,3R)-3-(hydroxymethyl)-6-[(1E)-3-hydroxyprop-1-en-1-yl]-2,3-dihydro-1,4-benzodioxin-2-yl]benzene-1,2-diol|4-[3-Hydroxymethyl-6-(3-hydroxy-propenyl)-2,3-dihydro-benzo[1,4]dioxin-2-yl]-benzene-1,2-diol|rel-4-{(2R,3R)-3-(hydroxymethyl)-6-[(1E)-3-hydroxyprop-1-en-1-yl]-2,3-dihydro-1,4-benzodioxin-2-yl}benzene-1,2-diol |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 2.370 |
| Log Po/w (XLOGP3) : 1.600 |
| Log Po/w (WLOGP) : 1.540 |
| Log Po/w (MLOGP) : 0.630 |
| Log Po/w (SILICOS-IT) : 2.160 |
| Consensus Log Po/w : 1.660 |

