Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000112

Phytochemical name: beta-Farnesene

Synonymous chemical names:
β-farnesenes, farnesene, beta, trans, (e)- β-farnesene, trans- β -farnesene, (e)-(b)-farnesene, trans beta farnesene, β- farnesene, Farnesene,trans beta-, β-farnesene, (e)-β- farnesene, β-farnesene*, trans‐β‐farnesene, (e)-β-farnesene, Farnesene trans-β-, (E)-beta-Farnesene, beta-farnesene, Farnesene,trans-beta-, (Ε)-beta-farnesene, (e)-beta-farnesene, beta-Farnesene, Farnesene,beta-, farnesene, beta, Farnesene, beta-, trans-β-farnesene, e-β-farnesene, beta Farnesene, trance-β-farnesene, trans-beta-farnesene, (3)-beta-farnesene, Farnesene, β-, Farnesene, β-trans-, (E)-beta-farnesene, beta-farnesene*, (e)- -farnesene, trans-β -farnesene, beta farnesene, e-beta-farnesene, e,β-farnesene

External chemical identifiers:
CID:CID_5281517, ChEBI:CHEBI:10418, ZINC:ZINC000001531533, FDASRS:E5STW643HU, SureChEMBL:SCHEMBL83306, MolPort-006-122-759

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Chemical structure information

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

InChI:
InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,1,4,7-8,10-11H2,2-3,5H3/b15-12+

InChIKey:
JSNRRGGBADWTMC-NTCAYCPXSA-N

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

Functional groups:
C=CC(=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: 2.874

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Chemical structure download