Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000640

Phytochemical name: (E,Z)-farnesol

Synonymous chemical names:
(z, e)-farnesolg, (2e,6z) farnesol, (2e, 6z)-farnesol, (2e,6z)- farnesol, (e,z)-farnesol, (E,Z)-farnesol, 2(e),6(z)-farnesol, (2E,6Z)-Farnesol, (z,e)-2,6-farnesol, e,z-farnesol

External chemical identifiers:
CID:CID_1549109, ChEMBL:CHEMBL488357, ChEBI:CHEBI:35966, ZINC:ZINC000005225107, FDASRS:413TVZ4919, SureChEMBL:SCHEMBL1301184

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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-GNESMGCMSA-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