| Phytochemical Name : (+)-Balanophonin |
| PCNDIDOT0039 |
| Pubchem CID : 23252258 |
| Molecular formula: C20H20O6 |
| Canonical SMILES : COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)O)OC)C=CC=O |
Synonymes : balanophonin|(+)-Balanophonin|215319-47-4|118916-57-7|(E)-3-[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enal|(+/-)-balanophonin|(E)-3-((2S,3R)-2-(4-Hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydrobenzofuran-5-yl)acrylaldehyde|()-Balanophonin|(-)-balanophonin|CHEMBL253335|SCHEMBL5972002|(+)-dehydrodiconiferyl aldehyde|(+)-DCA-L|AKOS040760292|E88761|E89031|Q15410247|(2E)-3-[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydrobenzofuran-5-yl] acrylaldehyde|(2S)-2alpha-(3-Methoxy-4-hydroxyphenyl)-3beta-(hydroxymethyl)-7-methoxy-2,3-dihydrobenzofuran-5-propenal|2-Propenal, 3-[2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-5-benzofuranyl]-, [2,3,5(E)]- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.790 |
| Log Po/w (XLOGP3) : 2.040 |
| Log Po/w (WLOGP) : 2.400 |
| Log Po/w (MLOGP) : 1.010 |
| Log Po/w (SILICOS-IT) : 3.460 |
| Consensus Log Po/w : 2.340 |