| Phytochemical Name : Isocaryophyllene |
| PCNDIDI0054 |
| Pubchem CID : 5281522 |
| Molecular formula: C15H24 |
| Canonical SMILES : CC1=CCCC(=C)C2CC(C2CC1)(C)C |
Synonymes : Isocaryophyllene|Caryophyllene|118-65-0|(-)-ISOCARYOPHYLLENE|Cis-caryophyllene|gamma-caryophyllene|NRY8I0KNIR|UNII-NRY8I0KNIR|87-44-5|Isocaryophyllene (80per cent)|Caryophyllene (VAN)|(1R,4Z,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene|EINECS 204-267-6|beta-Caryophyllene (natural)|CHEBI:5993|beta-Caryophyllen|DTXSID10881246|CARYOPHYLLENE ISOCARYOPHYLLENE|C15H24|Bicyclo(7.2.0)undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1R,4Z,9S)-|g-Caryophyllene|EINECS 201-746-1|.gamma.-Caryophyllene|(1R-(1R*,4Z,9S*))-4,11,11-Trimethyl-8-methylenebicyclo(7.2.0)undec-4-ene|AI3-36121|.beta.-cis-Caryophyllene|2-Methylene-6,10,10-trimethylbicyclo(7.2.0)undec-5-ene|ss-Caryophyllene|Bicyclo(7.2.0)undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1R,4E,9S)-|[1R-(1R*,4Z,9S*)]-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene|Bicyclo(7.2.0)undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1R-(1R*,4Z,9S*))-|Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1R,4Z,9S)-|Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, [1R-(1R*,4Z,9S*)]-|4,11,11-Trimethyl-8-methylenebicyclo(7.2.0)undec-4-ene, (1R-(1R*,4E,9S))-|Bicyclo(7.2.0)undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1R-(1R*,4E,9S*))-|Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-,[1R-(1R*,4Z,9S*)]-|(-)--caryophyllene|4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene #|CHEMBL448700|(1R,9S,E)-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene|DTXCID401474828|(-)-Caryophyllene sum of enantiomers|CS-T-10638|LMPR0103120002|LS-1865|CARYOPHYLLENE ,ALPHA + BETA MIXT|BS-48823|caryophyllene, (R-(R*,4E,9S))-isomer|CARYOPHYLLENE ISOCARYOPHYLLENE [MI]|CARYOPHYLLENE, ALPHA + BETA MIXT.|C09691|E75762|Q27106968|(-)-(E)-Caryophyllene;()--caryophyllene;()-trans-Caryophyllene|(1beta,9alpha)-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undeca-4-ene|Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, [1R-(1R,4Z,9S)]-|(1R - (1R*,4Z,9S*)) - 4,11,11 - trimethyl - 8 - methylenebicyclo(7.2.0)undec - 4 - ene |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 3.290 |
| Log Po/w (XLOGP3) : 4.380 |
| Log Po/w (WLOGP) : 4.730 |
| Log Po/w (MLOGP) : 4.630 |
| Log Po/w (SILICOS-IT) : 4.190 |
| Consensus Log Po/w : 4.240 |

