Summary

IMPPAT Phytochemical identifier: IMPHY011658

Phytochemical name: beta-Farnesene

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

External chemical identifiers:
CID:5281517, 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/C=C(/C)C, C=CC(=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