Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000136

Phytochemical name: (2Z,6E)-Farnesol

Synonymous chemical names:
cis-trans farnesol, (z)-(e)-farnesol, (2z, 6e)-farnesol, z,e-farnesol, (2z)-(6e)-farnesol, 2z,6e-farnesol, (Z,E)-farnesol, (z,e)-farnesol, (2z,6e) farnesol, (2Z,6E)-Farnesol, Farnesol,(ZE)-, (z,e)- farnesol, cis trans-farnesol, (2z,ge)-farnesol, cis,trans-farnesol, (2,e)-farnesol, 2(z),6(e)-farnesol

External chemical identifiers:
CID:CID_1549108, ChEBI:CHEBI:16774, ZINC:ZINC000013507234, FDASRS:SQ4TI19PXT, SureChEMBL:SCHEMBL806894

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Chemical structure information

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

InChI:
InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11-

InChIKey:
CRDAMVZIKSXKFV-PVMFERMNSA-N

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

Functional groups:
CO, 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, Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids, Farnesane sesquiterpenoids

NP-Likeness score: 2.191

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Chemical structure download