Beta caryophelline Details

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Physical and Chemical properties

PUBCHEM ID	5281515
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	(1R,4E,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
Canonical SMILES	C/C/1=CCCC(=C)[C@H]2CC([C@@H]2CC1)(C)C
PUBCHEM IUPAC INCHIKEY	NPNUFJAVOOONJE-GFUGXAQUSA-N
Solubility Level	2
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AA	4.4
CACTVS TPSA	0
BBB Level	0
Absorption Level	1
EXT PPB#Prediction	TRUE
AlogP98	4.753
EXT CYP2D6#Prediction	FALSE

Toxicological Information

Mouse Female FDA	Multi-Carcinogen
Mouse Male FDA	Multi-Carcinogen
Rat Female FDA	Single-Carcinogen
Rat Male FDA	Non-Carcinogen
Ames Prediction	Non-Mutagen
Developmental / Reproductive Toxicity	Toxic
Rat Oral LD50	0.85618 g/kg_body_weight
Ocular Irritancy	None
Hepatotoxic#Prediction	FALSE
Effected Human Genes

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	Anti-bacterial	33	https://www.mdpi.com/2076-3417/9/24/5420		Beta caryophelline
2	Anti-inflammatory	15	https://www.mdpi.com/2076-3417/9/24/5420		Beta caryophelline
3	Anti-Cancer	2	https://www.mdpi.com/2076-3417/9/24/5420		Beta caryophelline