| Phytochemical Name : Chamazulene |
| PCNDIDC0096 |
| Pubchem CID : 10719 |
| Molecular formula: C14H16 |
| Canonical SMILES : CCC1=CC2=C(C=CC2=C(C=C1)C)C |
Synonymes : Chamazulene|Chamazulen|7-Ethyl-1,4-dimethylazulene|529-05-5|Camazulene|Dimethulene|Dimethulen|1,4-Dimethyl-7-ethylazulene|Azulene, 7-ethyl-1,4-dimethyl-|BA 2784|EINECS 208-449-6|UNII-Z439UH6E5F|BRN 1306577|7-ethyl-1,4-dimethyl-azulene|Z439UH6E5F|AZULENE, 1,4-DIMETHYL-7-ETHYL-|CHEBI:3573|DTXSID70200939|4-05-00-01736 (Beilstein Handbook Reference)|BA-2784|C14H16|dimethylene|Dimethwlen|Lindazulene|CHAMAZULENE [MI]|CHAMAZULENE [INCI]|CHAMAZULENE [WHO-DD]|CHEMBL495665|1,4-Dimethyl-7-ethyl-Azulene|Chamazulene, analytical standard|GXGJIOMUZAGVEH-UHFFFAOYSA-|DTXCID50123430|7-ETHYL-1,4-DIMETHYLAZULEN|MFCD00800984|AKOS040744437|LMPR0103410002|LS-23574|HY-121038|FT-0623581|CHAMAZULENE (CONSTITUENT OF CHAMOMILE)|C09633|Q909088|CHAMAZULENE (CONSTITUENT OF CHAMOMILE) [DSC] |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.010 |
| Log Po/w (XLOGP3) : 4.430 |
| Log Po/w (WLOGP) : 3.970 |
| Log Po/w (MLOGP) : 5.010 |
| Log Po/w (SILICOS-IT) : 4.780 |
| Consensus Log Po/w : 4.240 |