Summary

IMPPAT Phytochemical identifier: IMPHY017124

Phytochemical name: beta Farnesene

Synonymous chemical names:
e,β-farnesene, e-β-farnesene

External chemical identifiers:
CID:15228937, ZINC:ZINC000091351744, SureChEMBL:SCHEMBL83307

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Chemical structure information

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

InChI:
InChI=1S/C15H26/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h9,12H,4,6-8,10-11H2,1-3,5H3/b15-12+

InChIKey:
APAPGJJZPJQKJJ-NTCAYCPXSA-N

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

Functional groups:
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: Fatty acids, Terpenoids

NP Classifier Superclass: Fatty acyls, Sesquiterpenoids

NP Classifier Class: Farnesane sesquiterpenoids, Hydrocarbons

NP-Likeness score: 2.295

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Chemical structure download