beta-Chamigrene Details

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Physical and Chemical properties

PUBCHEM ID	29073
CAS Registry Number	0.0
Aroma Threshold	0.0
Molecular Weight (g/mol)	204.35
Molecular Formula	C15H24
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
IUPAC Name	5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-ene
Canonical SMILES	CC1=CCC2(CC1)C(=C)CCCC2(C)C
PUBCHEM IUPAC INCHIKEY	WLNGPDPILFYWKF-UHFFFAOYSA-N
Solubility Level	0
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA	0
BBB Level	0
Absorption Level	1
EXT PPB#Prediction	1
AlogP98	4.707
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
Rat Oral LD50	1.92679 g/kg_body_weight
Ocular Irritancy	None
Hepatotoxic#Prediction	0
Effected Human Genes

Ecological Information

Aerobic Biodegradability Prediction

Degradable

Hazard(s) Identification

Physical hazards	not classified
Health hazards
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	Anti-bacterial	33	https://www.sciencedirect.com/science/article/abs/pii/S0023643811001617		beta-Chamigrene

Plant Variety and Essential oils

Serial No.	Plant Name	Variety Name	Essential Oil	Compound Percentage
1	Schisandra chinensis		Schisandra chinensis essential oil