alpha-Cubebene

alpha-Cubebene
Compound Structure:
Synonyms: (-)-alpha-Cubebene;alpha-Cubebene;(1R,5S,6R,7S,10R)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]dec-3-ene;1H-Cyclopenta(1,3)cyclopropa(1,2)benzene, 3a,3b,4,5,6,7-hexahydro-3,7-dimethyl-4-(1-methylethyl)-, (3aS,3bR,4S,7R,7aR)-
Compound ID: NMPC-556
PubChem ID:

442359

Molecular Formula: C15H24
Canonical SMILES: CC1CCC(C2C13C2C(=CC3)C)C(C)C
InChIKey: XUEHVOLRMXNRKQ-KHMAMNHCSA-N
About the compound:

Alpha-cubebene is a tricyclic sesquiterpene with formula C15H24, isolated from Hungarian thyme, citrus fruit, chamomile, and several other flowering plants. It has a role as a plant metabolite, a human metabolite and a volatile oil component. It is a sesquiterpene and a carbotricyclic compound.

Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

204.35 g/mol

XLogP3-AA

4.5

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

1

Exact Mass

204.187800766 g/mol

Monoisotopic Mass

204.187800766 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

15

Formal Charge

0

Complexity

312

Isotope Atom Count

0

Defined Atom Stereocenter Count

5

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

 

Boiling Point

245.00 to 246.00 °C. @ 760.00 mm Hg

Source: PubChem

Source Species: Monodora tenuifolia
Solanum nigrum
Tithonia diversifolia
Xylopia aethiopica
Strychnos innocua
Tithonia rotundifolia
Araucaria cunninghamii
Eucalyptus cloeziana
Eucalyptus torelliana
Polyalthia suaveolens
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