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
Chemical structure information
SMILES:
CC(=CCC/C(=C/C(=O)O)/C)CInChI:
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-NDeepSMILES:
CC=CCC/C=C/C=O)O)))/C)))))CFunctional groups:
C/C(C)=C/C(=O)O, CC=C(C)C
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Lipids and lipid-like moleculesClassyFire 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
Chemical structure download