Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID002164

Phytochemical name: Farnesal

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

External chemical identifiers:
CID:CID_5280598, ChEMBL:CHEMBL3120646, ChEBI:CHEBI:15894, ZINC:ZINC000001529658, FDASRS:G4E58106EW, SureChEMBL:SCHEMBL379953, MolPort-002-501-613

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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-YFVJMOTDSA-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