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Elemicin

Elemicin structure

CAS No:
487-11-6
Formula:
C12H16O3
Chemical Name:
Elemicin
Synonyms:
Benzene,1,2,3-trimethoxy-5-(2-propen-1-yl)-;Elemicin;Benzene,5-allyl-1,2,3-trimethoxy-;Benzene,1,2,3-trimethoxy-5-(2-propenyl)-;1,2,3-Trimethoxy-5-(2-propen-1-yl)benzene;3,4,5-Trimethoxyallylbenzene;4-Allyl-1,2,6-trimethoxybenzene;5-(Prop-2-enyl)-1,2,3-trimethoxybenzene;1-Allyl-3,4,5-trimethoxybenzene;1,2,3-Trimethoxy-5-(2-propenyl)benzene;5-Allyl-1,2,3-trimethoxybenzene;1-(3,4,5-Trimethoxyphenyl)-2-propene;NSC 16704
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

Elemicin is a alkenylbenzene widely distributed in many herbs and spices. Elemicin inhibits Stearoyl-CoA Desaturase 1 (SCD1) by metabolic activation. Elemicin is one of the main components in aromatic food and has antimicrobial, antioxidant, and antiviral activities. Elemicin possesses genotoxicity and carcinogenicity[1].

Colourless to pale straw coloured viscous liquid; Spice with floral notes

Elemicin is an olefinic compound.

Elemicin Basic Attributes

Molecular Weight：

208.25

Exact Mass：

208.25

EC Number：

207-649-0

UNII：

HSZ191AKAN

NSC Number：

16704

DSSTox ID：

DTXSID60197586

Characteristics

PSA：

27.7

XLogP3：

2.44090

Appearance：

Colourless to pale straw coloured viscous liquid; Spice with floral notes

Density：

1.0630 g/cm³ @ Temp: 20 °C

Boiling Point：

152-156 °C

Flash Point：

92.6ºC

Refractive Index：

1.496

Water Solubility：

Practically insoluble to insoluble in water

Vapor Pressure：

0.00666mmHg at 25°C

Drug Information

MeSH Entry Terms：

elemicin

Elemicin Use and Manufacturing

Uses

A constituent of the essential oil of nutmeg and is responsible for the psychoactive effects of nutmeg. Also a minor constituent of the oleoresin and essential oil of Manila elemi (Canarium luzonicum). Exhibits anticholinergic-like effects in humans.

Use Classification：

Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:208.25
XLogP3:2.5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:208.109944368
Monoisotopic Mass:208.109944368
Topological Polar Surface Area:27.7
Heavy Atom Count:15
Complexity:179
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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