α- Selinene

α- Selinene
Compound Structure:
Synonyms: ALPHA-SELINENE; 473-13-2; Eudesma-3,11-diene alpha-Selinine; UNII-99ZHA8F274
Compound ID: NMPC-1610
PubChem ID:

10856614

Molecular Formula: C15H24
Canonical SMILES: CC1=CCCC2(C1CC(CC2)C(=C)C)C
InChIKey: OZQAPQSEYFAMCY-QLFBSQMISA-N
About the compound:

Alpha-selinene is an isomer of selinene where the double bond in the octahydronaphthalene ring system is endocyclic (2R,4aR,8aR)-configuration.. It has a role as a plant metabolite. It is a selinene and a member of octahydronaphthalenes.

Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

204.35 g/mol

XLogP3-AA

5.2

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

297

Isotope Atom Count

0

Defined Atom Stereocenter Count

3

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source:PubChem

Source Species: Eucalyptus globulus
Eugenia aromatica
Gongronema latifolium
Klainedoxa gabonensis
Monodora tenuifolia
Senna podocarpa
Solanum nigrum
Zingiber officinale
Araucaria cunninghamii
Brachystegia nigerica
Hyparrhenia rufa
Eugenia uniflora
Murraya Koenigii
Tecoma stans
Dioclea reflexa.
Prosopis africana
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