Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000113

Phytochemical name: alpha-Farnesene

Synonymous chemical names:
(E)-alpha-farnesene, Farnesene, Farnesene,α-, e,e, α-farnesene, alpha farnesene, Farnesene,alpha-, α-farneseneb, Farnesene,alpha., (E,E)-alpha-Farnesene, (e,e)-α-farnesne, α-farnesene *, Farnesene.α.-, α- farnesene“, â-farnesene, alpha-Farnesene, (e,e)-alpha-farnesene, a-farnesene, α--farnesene, (e,e)-α-farnesene, alpha-farnesene*, (e),(e)-α-farnesene, e,e-alpha-farnesene, α-farnesene (e,e), α-farnesene, (e,e)-á-farnesene, Alpha-Farnesene, farnesene, Farnesene, alpha-, α- farnesene, α- farnesene*, similar to α-farnesene, (e,e)-α- farnesene, alpha-farnesene *, 3e,6e-alpha-farnesene, (e,e)-α-famesene5, *α-farnesene, alpha-farnesene, (E,E)-alpha-farnesene, farnesene, alpha

External chemical identifiers:
CID:CID_5281516, ChEMBL:CHEMBL3182226, ChEBI:CHEBI:10280, ZINC:ZINC000001531529, FDASRS:7E1785CZ0H, SureChEMBL:SCHEMBL83662

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Chemical structure information

SMILES:
C=C/C(=C/C/C=C(/CCC=C(C)C)\C)/C

InChI:
InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9-10,12H,1,7-8,11H2,2-5H3/b14-10+,15-12+

InChIKey:
CXENHBSYCFFKJS-VDQVFBMKSA-N

DeepSMILES:
C=C/C=C/C/C=C/CCC=CC)C)))))\C)))))/C

Functional groups:
C=C/C(C)=C/C, C/C=C(/C)C, CC=C(C)C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Farnesane sesquiterpenoids

NP-Likeness score: 2.774

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Chemical structure download