Elemicin

Elemicin
Clinical data
Dependence; liability	None
Addiction; liability	Low / None
Routes of; administration	Oral
Legal status
Legal status	In general: uncontrolled;
Identifiers
	IUPAC name 1,2,3-Trimethoxy-5-(prop-2-en-1-yl)benzene;
CAS Number	487-11-6 ;
PubChem CID	10248;
ChemSpider	9830 ;
UNII	HSZ191AKAN;
KEGG	C10451 ;
ChEMBL	ChEMBL458690 ;
CompTox Dashboard (EPA)	DTXSID60197586 ;
ECHA InfoCard	100.006.954
Chemical and physical data
Formula	C12H16O3
Molar mass	208.257 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES C=CCC1=CC(OC)=C(OC)C(OC)=C1;
	InChI InChI=1S/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5,7-8H,1,6H2,2-4H3 ; Key:BPLQKQKXWHCZSS-UHFFFAOYSA-N ;
	(verify)

Elemicin is a phenylpropene, a natural organic compound, and is a constituent of several plant species' essential oils.

Clinical data


Dependence liability	None
Addiction liability	Low / None
Routes of administration	Oral
Legal status
Legal status	In general: uncontrolled
Identifiers
IUPAC name 1,2,3-Trimethoxy-5-(prop-2-en-1-yl)benzene
CAS Number	487-11-6^Y
PubChem CID	10248
ChemSpider	9830^Y
UNII	HSZ191AKAN
KEGG	C10451^Y
ChEMBL	ChEMBL458690^Y
CompTox Dashboard (EPA)	DTXSID60197586
ECHA InfoCard	100.006.954
Chemical and physical data
Formula	C₁₂H₁₆O₃
Molar mass	208.257 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES C=CCC1=CC(OC)=C(OC)C(OC)=C1
InChI InChI=1S/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5,7-8H,1,6H2,2-4H3^Y Key:BPLQKQKXWHCZSS-UHFFFAOYSA-N^Y
(verify)