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
Download SDF