Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID002600

Phytochemical name: gamma-Octalactone

Synonymous chemical names:
γ-octalactone, octalactone,gamma, yoctalactone, gamma octalactone, gamma-octalactone

External chemical identifiers:
CID:CID_7704, ChEMBL:CHEMBL3559967, ChEBI:CHEBI:145738, FDASRS:UHD6M52X0K, SureChEMBL:SCHEMBL111822, MolPort-001-786-937

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Chemical structure information

SMILES:
CCCCC1CCC(=O)O1

InChI:
InChI=1S/C8H14O2/c1-2-3-4-7-5-6-8(9)10-7/h7H,2-6H2,1H3

InChIKey:
IPBFYZQJXZJBFQ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCC=O)O5

Functional groups:
COC(=O)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCO1

Scaffold Graph/Node level:
OC1CCCO1

Scaffold Graph level:
CC1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Lactones

ClassyFire Subclass: Gamma butyrolactones

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Lactones

NP-Likeness score: 2.028

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Chemical structure download