| Phytochemical Name : Interiotherin A |
| PCNDIDI0025 |
| Pubchem CID : 21125391 |
| Molecular formula: C29H28O8 |
| Canonical SMILES : CC1CC2=CC3=C(C(=C2C4=C(C5=C(C=C4C(C1C)OC(=O)C6=CC=CC=C6)OCO5)OC)OC)OCO3 |
Synonymes : Interiotherin A|CHEBI:66082|(-)-Interiotherin A|CHEMBL484669|Q27134595|[(11R,12S,13S)-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.02,10.04,8.017,21]docosa-1(22),2,4(8),9,15,17(21)-hexaen-11-yl] benzoate|Cycloocta(1,2-f:3,4-f')bis(1,3)benzodioxol-5-ol, 5,6,7,8-tetrahydro-13,14-dimethoxy-6,7-dimethyl-, benzoate(5R,6S,7S,13aS) |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.950 |
| Log Po/w (XLOGP3) : 6.120 |
| Log Po/w (WLOGP) : 5.230 |
| Log Po/w (MLOGP) : 3.310 |
| Log Po/w (SILICOS-IT) : 5.240 |
| Consensus Log Po/w : 4.770 |