| Phytochemical Name : Gomisin O |
| PCNDIDG0133 |
| Pubchem CID : 5317808 |
| Molecular formula: C23H28O7 |
| Canonical SMILES : CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4C(C1C)O)OC)OC)OC)OC)OCO3 |
Synonymes : Gomisin O|72960-22-6|UNII-203U4U9E2M|203U4U9E2M|Benzo(3,4)cycloocta(1,2-f)(1,3)benzodioxol-5-ol, 5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, (5R,6S,7S,13aS)-|(8R,9S,10S)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-ol|GomisinO|CHEMBL522973|SCHEMBL1788230|HY-N2235|AKOS037515110|MS-27243|CS-0019558|Q27253411|(7S)-6beta,7beta-Dimethyl-1,2,3,12-tetramethoxy-10,11-methylenedioxy-5,6,7,8-tetrahydrodibenzo[a,c]cyclooctene-5alpha-ol|Benzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-5-ol, 5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, (5R,6S,7S)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.700 |
| Log Po/w (XLOGP3) : 4.020 |
| Log Po/w (WLOGP) : 3.650 |
| Log Po/w (MLOGP) : 1.960 |
| Log Po/w (SILICOS-IT) : 3.990 |
| Consensus Log Po/w : 3.470 |