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Curcumenol

Curcumenol structure

CAS No:
19431-84-6
Formula:
C15H22O2
Chemical Name:
Curcumenol
Synonyms:
6H-3a,6-Epoxyazulen-6-ol,1,2,3,4,5,8a-hexahydro-3,8-dimethyl-5-(1-methylethylidene)-,(3S,3aS,6R,8aS)-;5β-Guaia-7(11),9-dien-8α-ol,5,8-epoxy-;6H-3a,6-Epoxyazulen-6-ol,1,2,3,4,5,8a-hexahydro-3,8-dimethyl-5-(1-methylethylidene)-,[3S-(3α,3aα,6α,8aβ)]-;(3S,3aS,6R,8aS)-1,2,3,4,5,8a-Hexahydro-3,8-dimethyl-5-(1-methylethylidene)-6H-3a,6-epoxyazulen-6-ol;(+)-Curcumenol;Curcumenol;Curcumenol,(+)-
Categories:
Active Pharmaceutical Ingredients > Inhibitor Drugs

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Curcumenol Basic Attributes

Molecular Weight：

234.33400

Exact Mass：

234.33

DSSTox ID：

DTXSID0058011

Characteristics

PSA：

29.46000

XLogP3：

3.17650

Density：

1.1

Melting Point：

113-115 °C

Boiling Point：

349.3ºC at 760 mmHg

Flash Point：

146.7ºC

Refractive Index：

1.553

Vapor Pressure：

2.88E-06mmHg at 25°C

Drug Information

MeSH：

Drugs and compounds which inhibit or antagonize the biosynthesis or actions of CYTOCHROME P-450 CYP3A. (See all compounds classified as Cytochrome P-450 CYP3A Inhibitors.)

MeSH Entry Terms：

curcumenol

Computed Properties

Molecular Weight:234.33
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:234.161979940
Monoisotopic Mass:234.161979940
Topological Polar Surface Area:29.5
Heavy Atom Count:17
Complexity:430
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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