Yomogi alcohol Details

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Physical and Chemical properties

PUBCHEM ID	5315406
Molecular Weight (g/mol)	154.249
Molecular Formula	C10H18O
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
IUPAC Name	(3E)-2,5,5-trimethylhepta-3,6-dien-2-ol
Canonical SMILES	C=CC(C)(C)/C=C/C(C)(C)O
PUBCHEM IUPAC INCHIKEY	CSMMFGCGBLZIJE-BQYQJAHWSA-N
Solubility Level	4
Vapour Pressure	-0.664

Absorption and Metabolism information

XLOGP3 AA	2.6
CACTVS TPSA	20.2
BBB Level	1
Absorption Level	0
EXT PPB#Prediction	0
AlogP98	2.223
EXT CYP2D6#Prediction	0

Toxicological Information

Mouse Female FDA	Multi-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	0.798644 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	Mild
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 yarrow		Achillea ageratum essential oil