Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000995

Phytochemical name: cis-beta-Farnesene

Synonymous chemical names:
cis beta farnesene, cis-beta-Farnesene, (z)-β -farnesene, z)-β-famesene, (2)-β-farnesene, z-β-famesene, (z)-(b)-farnesene*, (z)-β- famesene, cis-β-famesene, (z)-β-farnesene, (z)- beta-farnesene, (z)beta-farnesene, (z)-beta-farnesene, (Z)-beta-Farnesene, (z )-β -farnesene, cis-pfarnesene, (z)-b-farnesene, beta-Farnesene, (6Z)-, (z)-β-farnesesne, (z)- β -farnesene, (z )-β-farnesene, z-β-farnesene, (z)-β-farnesene*, cis-β -farnesene, (Z)-beta-farnesene, (z)-b-famesene, (z)-β- farnesene, cis-β-farnesene+β-santalene, cis-β- farnesene, z-beta-farnesene, farnesene, beta, cis

External chemical identifiers:
CID:CID_5317319, ChEBI:CHEBI:39242, ZINC:ZINC000059586886, FDASRS:G7F9BVF1UR, SureChEMBL:SCHEMBL16820318

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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-QINSGFPZSA-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