| Phytochemical Name : Isokobusone |
| PCNDIDI0083 |
| Pubchem CID : 3860435 |
| Molecular formula: C14H22O2 |
| Canonical SMILES : CC1(CC2C1CCC(=C)C(CCC2=O)O)C |
Synonymes : Isokobusone|5-hydroxy-10,10-dimethyl-6-methylidenebicyclo[7.2.0]undecan-2-one|24173-72-6|Spectrum_000706|Spectrum2_001773|Spectrum3_001201|Spectrum4_001459|Spectrum5_000077|BSPBio_002582|KBioGR_001977|KBioSS_001186|SPECTRUM300117|SPBio_001665|CHEMBL1522104|KBio2_001186|KBio2_003754|KBio2_006322|KBio3_002082|DTXSID00397482|CHEBI:108586|CCG-38422|STL446014|AKOS037482276|SDCCGMLS-0066540.P001|NCGC00095587-01|NCGC00095587-02|6-Hydroxy-15-nor-7(14)-caryophyllen-3-one|SR-05000002462|SR-05000002462-1|BRD-A97152619-001-03-7|Q27187509|5-hydroxy-11,11-dimethyl-4-methylene-8-bicyclo[7.2.0]undecanone |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.470 |
| Log Po/w (XLOGP3) : 2.070 |
| Log Po/w (WLOGP) : 2.710 |
| Log Po/w (MLOGP) : 2.380 |
| Log Po/w (SILICOS-IT) : 2.880 |
| Consensus Log Po/w : 2.500 |