Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001460

Phytochemical name: (Z,E)-alpha-Farnesene

Synonymous chemical names:
(Z,E)-alpha-farnesene, (Z,E)-alpha-Farnesene, (z,e)-alpha-farnesene, (z,e) α-farnesene, (z,e)-a-farnesene, (z, e)-α-farnesene, Farnesene,cis-α-, (z,e)-α -farnesene, (z,e)-α-farnese, (z,e)-α- farnesene, (z,e)- α -farnesene, (z,e)- α-farnesene, (z,e)α-farnesene

External chemical identifiers:
CID:CID_5362889, ChEBI:CHEBI:39238, ZINC:ZINC000001531531, FDASRS:4U4U81627K, SureChEMBL:SCHEMBL18493445

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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-OXYODPPFSA-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