Summary

IMPPAT Phytochemical identifier: IMPHY004151

Phytochemical name: Geranyl formate

Synonymous chemical names:
geraniol formate, geranyl formate, geranyl formate, geranyl forrnate, geranyl-formate

External chemical identifiers:
CID:5282109, ChEMBL:CHEMBL3182514, ChEBI:31648, ZINC:ZINC000001583795, FDASRS:72O586X6ZI, SureChEMBL:SCHEMBL226426, MolPort-003-912-443

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Chemical structure information

SMILES:
O=COC/C=C(/CCC=C(C)C)C

InChI:
InChI=1S/C11H18O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,7,9H,4,6,8H2,1-3H3/b11-7+

InChIKey:
FQMZVFJYMPNUCT-YRNVUSSQSA-N

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

Functional groups:
C/C=C(/C)C, CC=C(C)C, COC=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohol esters

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.619

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Chemical structure download