Summary

IMPPAT Phytochemical identifier: IMPHY004536

Phytochemical name: Geranic acid

Synonymous chemical names:
gerainic-acid, geranic acid, geranic-acid, geranoic acid, geranoic-acid

External chemical identifiers:
CID:5275520, ChEMBL:CHEMBL170190, ChEBI:67264, ZINC:ZINC000001758085, FDASRS:10797G3M5Y, SureChEMBL:SCHEMBL358253, MolPort-001-769-750

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Chemical structure information

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

InChI:
InChI=1S/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)/b9-7+

InChIKey:
ZHYZQXUYZJNEHD-VQHVLOKHSA-N

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

Functional groups:
C/C(C)=C/C(=O)O, 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: Monoterpenoids

NP Classifier Biosynthetic pathway: Fatty acids, Terpenoids

NP Classifier Superclass: Fatty Acids and Conjugates, Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids, Branched fatty acids, Unsaturated fatty acids

NP-Likeness score: 2.423

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Chemical structure download