Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000063

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

Synonymous chemical names:
2e,6z-farnesal, (z,e)-farnesal, (2z,6e)-farnesal, (2e,6z)-farnesal

External chemical identifiers:
CID:CID_5365890, ChEBI:CHEBI:35968, ZINC:ZINC000013507228, FDASRS:W294Y02P00, SureChEMBL:SCHEMBL1301128

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Chemical structure information

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

InChI:
InChI=1S/C15H24O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11-12H,5-6,8,10H2,1-4H3/b14-9+,15-11-

InChIKey:
YHRUHBBTQZKMEX-PVMFERMNSA-N

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

Functional groups:
C/C(C)=C\C=O, 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: 2.173

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Chemical structure download