| Phytochemical Name : Ambrosin |
| PCNDIDA0115 |
| Pubchem CID : 92119 |
| Molecular formula: C15H18O3 |
| Canonical SMILES : CC1CCC2C(C3(C1C=CC3=O)C)OC(=O)C2=C |
Synonymes : Ambrosin|509-93-3|(+/-)-Ambrosin|Ambrosin, (+/-)-|CCRIS 4137|Ambrosin (+/-)-form [MI]|UNII-QE9HO4LN0U|NSC 85235|QE9HO4LN0U|CHEBI:2629|UNII-6XI048644B|6XI048644B|64813-79-2|Azuleno(4,5-b)furan-2,9-dione, 3,3a,4,5,6,6a,9a,9b-octahydro-6,9a-dimethyl-3-methylene-, (3aS,6S,6aR,9aR,9bR)-rel-|10alphaH-Ambrosa-2,11(13)-dien-12-oic acid, 6beta-hydroxy-4-oxo-, gamma-lactone|3,3a,4,5,6,6a,9a,9b-Octahydro-6,9a-dimethyl-3-methyleneazuleno(4,5b)furan-2,9-dione|Azuleno(4,5-b)furan-2,9-dione, 3,3a,4,5,6,6a,9a,9b-octahydro-6,9a-dimethyl-3-methylene-, (3aS-(3aalpha,6beta,6aalpha,9abeta,9balpha))-|NSC-85235|AMBROSIN [MI]|CHEMBL115843|MEGxp0_001652|SCHEMBL3463663|ACon0_000311|ACon1_002230|DTXSID60877831|3,3a,4,5,6,6a,9a,9b-Octahydro-6,9a-dimethyl-3-methyleneazuleno[4,5-b]furan-2,9-dione|6-beta-hydroxy-4-oxo-10-alpha H-ambrosa-2,11(13)-dien-12-oic acid gamma-lactone|NCGC00179698-01|(3aS,6S,6aR,9aR,9bR)-6,9a-dimethyl-3-methylidene-3a,4,5,6,6a,9b-hexahydroazuleno[8,7-b]furan-2,9-dione|LS-175188|C09292|Q27105752|6beta-Hydroxy-4-oxo-10alphaH-ambrosa-2,11(13)-dien-12-oic acid gamma-lactone|AZULENO(4,5-B)FURAN-2,9-DIONE, 3,3A,4,5,6,6A,9A,9B-OCTAHYDRO-6,9A-DIMETHYL-3-METHYLENE-, (3AS,6S,6AR,9AR,9BR)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.080 |
| Log Po/w (XLOGP3) : 1.030 |
| Log Po/w (WLOGP) : 2.280 |
| Log Po/w (MLOGP) : 2.380 |
| Log Po/w (SILICOS-IT) : 2.530 |
| Consensus Log Po/w : 2.060 |