Alpha-Calacorene Details

---

Physical and Chemical properties

PUBCHEM ID	12302243
CAS Registry Number	0.0
Aroma Threshold	0.0
Molecular Weight (g/mol)	200.319
Molecular Formula	C15H20
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
IUPAC Name	(1S)-4,7-dimethyl-1-propan-2-yl-1,2-dihydronaphthalene
Canonical SMILES	C/C1=C/CC(C(C)C)c2cc(C)ccc12
PUBCHEM IUPAC INCHIKEY	CUUMXRBKJIDIAY-ZDUSSCGKSA-N
Solubility Level	2
Vapour Pressure	-2.208

Absorption and Metabolism information

XLOGP3 AA	4.4
CACTVS TPSA	0
BBB Level	0
Absorption Level	1
EXT PPB#Prediction	1
AlogP98	4.79
EXT CYP2D6#Prediction	0

Toxicological Information

Mouse Female FDA	Non-Carcinogen
Mouse Male FDA	Multi-Carcinogen
Rat Female FDA	Single-Carcinogen
Rat Male FDA	Multi-Carcinogen
Ames Prediction	Non-Mutagen
Developmental / Reproductive Toxicity	Non-Toxic
Rat Oral LD50	1.74071 g/kg_body_weight
Ocular Irritancy	Mild
Hepatotoxic#Prediction	1
Effected Human Genes

Ecological Information

Aerobic Biodegradability Prediction

Non-Degradable

Hazard(s) Identification

Physical hazards	not classified
Health hazards	Mild
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					Alpha-Calacorene

Plant Variety and Essential oils

Serial No.	Plant Name	Variety Name	Essential Oil	Compound Percentage
1	Sweet flag, Vach, Bhoja	CIM-Balya	Acorus calamus CIM-Balya essential oil
2	White turmeric		Curcuma zedoaria essential oil
3	Pinnate lilac		Syringa pinnatifolia essential oil
4	Bixa orellana		Bixa orellana essential oil
5	katafa or katrafay		Cedrelopsis grevei essential oil