Pubchem ID | 5281515 |
---|---|
CAS | 87-44-5 |
IUPAC name | (1R,4E,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene |
Synonyms | Caryophyllene|(-)-trans-Caryophyllene|87-44-5|(-)-beta-caryophyllene|trans-Caryophyllene|(E)-Caryophyllene|L-Caryophyllene|trans-beta-caryophyllene|(E)-beta-caryophyllene|b-caryophyllene |
Categories | Color |
SMILES | CC1=CCCC(=C)C2CC(C2CC1)(C)C |
InCheykey | InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m1/s1 |
Natural | YES |
E No. | - |
GHS Siginal | Danger |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
204.357 | 0 | 0 | 0 | 0.0 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Moderate Absorption | Low Solubility | Binder | Very High | Non - Inhibitor | Non Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Carcinogen | Toxic | Non-Mutagen | Irritant | Irritant | Non-Irritant | Degradable |