Caryophyllene epoxide Details

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Physical and Chemical properties

PUBCHEM ID	1742210
CAS Registry Number	0.0
Aroma Threshold	0.0
Molecular Weight (g/mol)	220.357
Molecular Formula	C15H24O
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
IUPAC Name	beta-Caryophylleneoxide
Canonical SMILES	C=C2CC[C@H]1O[C@]1(C)CC[C@@H]3[C@@H]2CC3(C)C
PUBCHEM IUPAC INCHIKEY	NVEQFIOZRFFVFW-RGCMKSIDSA-N
Solubility Level	2
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AA	NA
CACTVS TPSA	9.23
BBB Level	0
Absorption Level	0
EXT PPB#Prediction	1
AlogP98	3.519
EXT CYP2D6#Prediction	0

Toxicological Information

Mouse Female FDA	Multi-Carcinogen
Mouse Male FDA	Multi-Carcinogen
Rat Female FDA	Single-Carcinogen
Rat Male FDA	Multi-Carcinogen
Ames Prediction	Non-Mutagen
Developmental / Reproductive Toxicity	Toxic
Rat Oral LD50	1.13262
Ocular Irritancy	Mild
Hepatotoxic#Prediction	1
Effected Human Genes	NA

Ecological Information

Aerobic Biodegradability Prediction

Degradable

Hazard(s) Identification

Physical hazards	not classified
Health hazards	Moderate
Environmental hazards	not classified

About Table Headings

Compound Biological Activity

Serial No.	Activity Name	Details	References (PubMed)	Other details EPA (U.S)	Clinical Trials (U.S. NIH)
1				1139-30-6	Caryophyllene epoxide

Plant Variety and Essential oils

Serial No.	Plant Name	Variety Name	Essential Oil	Compound Percentage
1	Siberian motherwort, Honeyweed		Leonurus sibiricus essential oil (Normal root)
2	Siberian motherwort, Honeyweed		Leonurus sibiricus essential oil (Hairy root)