| Phytochemical Name : Carnosol |
| PCNDIDC0055 |
| Pubchem CID : 442009 |
| Molecular formula: C20H26O4 |
| Canonical SMILES : CC(C)C1=C(C(=C2C(=C1)C3CC4C2(CCCC4(C)C)C(=O)O3)O)O |
Synonymes : carnosol|5957-80-2|Picrosalvin|UNII-483O455CKD|CCRIS 7122|CHEBI:3429|CHEMBL218693|HSDB 7680|483O455CKD|(4aR,9S,10aS)-5,6-Dihydroxy-7-isopropyl-1,1-dimethyl-2,3,4,9,10,10a-hexahydro-1H-9,4a-(epoxymethano)phenanthren-12-one|1,3,4,9,10,10aS-Hexahydro-5,6-dihydroxy-1,1-dimethyl-7-isopropyl-2H-9S,4aR-(epoxymethano)phenanthren-12-one|NSC-39143|2H-9,4a-(Epoxymethano)phenanthren-12-one, 1,3,4,9,10,10a-hexahydro-5,6-dihydroxy-1,1-dimethyl-7-(1-methylethyl)-, (4aR-(4aalpha,9alpha,10abeta))-|MFCD02752467|CARNOSOL [HSDB]|CARNOSOL [MI]|SCHEMBL42365|Carnosol, analytical standard|DTXSID80904451|(1R,8S,10S)-3,4-dihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-15-one|HY-N0643|BDBM50213683|NSC 39143|s9127|AKOS015897159|CCG-208130|AC-34727|CS-0009670|C09069|CARNOSOL (CONSTITUENT OF ROSEMARY) [DSC]|BRD-K67265981-001-01-5|Q16634054|7-beta,11,12-trihydroxy-13-isopropylpodocarpa-8,11,13-trien-17-oic acid 17,7-lactone|(1R,8S,10S)-3,4-dihydroxy-11,11-dimethyl-5-(propan-2-yl)-16-oxatetracyclo[6.6.2.0^{1,10}.0^{2,7}]hexadeca-2,4,6-trien-15-one|2H-9,4A-(EPOXYMETHANO)PHENANTHREN-12-ONE, 1,3,4,9,10,10A-HEXAHYDRO-5,6-DIHYDROXY-1,1-DIMETHYL-7-(1-METHYLETHYL)-, (4AR,9S,10AS)-|2H-9,4A-(EPOXYMETHANO)PHENANTHREN-12-ONE, 1,3,4,9,10,10A-HEXAHYDRO-5,6-DIHYDROXY-1,1-DIMETHYL-7-(1-METHYLETHYL)-, (4AR-(4A.ALPHA.,9.ALPHA.,10A.BETA.))-|PODOCARPA-8,11,13-TRIEN-17-OIC ACID, 7.BETA.,11,12-TRIHYDROXY-13-ISOPROPYL-, 17,7-LACTONE |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.970 |
| Log Po/w (XLOGP3) : 4.380 |
| Log Po/w (WLOGP) : 3.960 |
| Log Po/w (MLOGP) : 3.250 |
| Log Po/w (SILICOS-IT) : 4.050 |
| Consensus Log Po/w : 3.720 |