Artemisia ketone Details

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Physical and Chemical properties

PUBCHEM ID	68346
Molecular Weight (g/mol)	152.233
Molecular Formula	C10H16O
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
IUPAC Name	3,3,6-trimethylhepta-1,5-dien-4-one
Canonical SMILES	C=CC(C)(C)C(=O)/C=C(C)/C
PUBCHEM IUPAC INCHIKEY	OTYVBQZXUNBRTK-UHFFFAOYSA-N
Solubility Level	3
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AA	3.1
CACTVS TPSA	17.1
BBB Level	1
Absorption Level	0
EXT PPB#Prediction	0
AlogP98	3.054
EXT CYP2D6#Prediction	0

Toxicological Information

Mouse Female FDA	Single-Carcinogen
Mouse Male FDA	Multi-Carcinogen
Rat Female FDA	Multi-Carcinogen
Rat Male FDA	Multi-Carcinogen
Ames Prediction	Non-Mutagen
Developmental / Reproductive Toxicity	Toxic
Rat Oral LD50	0.323311 g/kg_body_weight
Ocular Irritancy	Severe
Hepatotoxic#Prediction	0
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

Plant Variety and Essential oils

Serial No.	Plant Name	Variety Name	Essential Oil	Compound Percentage
1	Sweet wormwood, Quinghao	CIM-Arogya	Artemisia annua CIM-Arogya essential oil
2	Sweet wormwood, Quinghao	Jeevanraksha	Artemisia annua Jeevanraksha essential oil