Summary

IMPPAT Phytochemical identifier: IMPHY001741

Phytochemical name: 13-Cyclopentyltridecanoic acid

Synonymous chemical names:
dihydrochaulmoogric-acid

External chemical identifiers:
CID:15820840, ChEBI:173132, ZINC:ZINC000013429831, SureChEMBL:SCHEMBL6525128

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Chemical structure information

SMILES:
OC(=O)CCCCCCCCCCCCC1CCCC1

InChI:
InChI=1S/C18H34O2/c19-18(20)16-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17/h17H,1-16H2,(H,19,20)

InChIKey:
GPWJVXHWELIFNF-UHFFFAOYSA-N

DeepSMILES:
OC=O)CCCCCCCCCCCCCCCCC5

Functional groups:
CC(=O)O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCCC1

Scaffold Graph/Node level:
C1CCCC1

Scaffold Graph level:
C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acids and conjugates

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty Acids and Conjugates

NP Classifier Class: Carbocyclic fatty acids

NP-Likeness score: 0.484

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Chemical structure download