Oplopanone Details

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Physical and Chemical properties

PUBCHEM ID	10466745
Molecular Weight (g/mol)	238.37
Molecular Formula	" C15H26O2"
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
IUPAC Name	1-[(1S,3aR,4R,7S,7aS)-4-hydroxy-4-methyl-7-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydroinden-1-yl]ethanone
Canonical SMILES	CC(C)[C@@H]1CC[C@@]([C@H]2[C@H]1[C@H](CC2)C(=O)C)(C)O
PUBCHEM IUPAC INCHIKEY	WLXJHVQYKOJBBN-NJVJYBDUSA-N
Solubility Level	3
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AA	2.6
CACTVS TPSA	" 37.3 Ų"
BBB Level	1
Absorption Level	0
EXT PPB#Prediction	TRUE
AlogP98	2.605
EXT CYP2D6#Prediction	FALSE

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	2.53804 g/kg_body_weight
Ocular Irritancy	Moderate
Hepatotoxic#Prediction	TRUE
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