| Phytochemical Name : CID 5281560 |
| PCNDIDC0154 |
| Pubchem CID : 5281560 |
| Molecular formula: C38H50O6 |
| Canonical SMILES : CC(=CCC1CC2(C(=O)C(=C(C3=CC(=C(C=C3)O)O)O)C(=O)C(C2=O)(C1(C)C)CC=C(C)C)CC(CC=C(C)C)C(=C)C)C |
Synonymes : Garcinol|78824-30-3|C09929|Camboginol|CHEBI:5276|SCHEMBL14917227|MFCD03700761|MS-30635|HY-107569|CS-0028887|(1R,5R,7R)-3-(3,4-Dihydroxybenzyol)-4-hydroxy-8,8-dimethyl-1,7-bis(3-methyl-2-buten-1-yl)-5-[(2S)-5-methyl-2-(1-methylethenyl)-4-hexen-1-yl]bicyclo[3.3.1]non-3-ene-2,9-dione|(1S,3Z,5R,7R)-3-[(3,4-dihydroxyphenyl)-hydroxy-methylene]-1-[(2S)-2-isopropenyl-5-methyl-hex-4-enyl]-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)bicyclo[3.3.1]nonane-2,4,9-trione|Bicyclo[3.3.1]non-3-ene-2,9-dione,3-(3,4-dihydroxybenzoyl)-4-hydroxy-8,8-dimethyl-1,7-bis(3-methyl-2-buten-1-yl)-5-[(2S)-5-methyl-2-(1-methylethenyl)-4-hexen-1-yl]-,(1R,5R,7R)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 4.760 |
| Log Po/w (XLOGP3) : 10.290 |
| Log Po/w (WLOGP) : 8.760 |
| Log Po/w (MLOGP) : 3.780 |
| Log Po/w (SILICOS-IT) : 9.150 |
| Consensus Log Po/w : 7.350 |