Summary

IMPPAT Phytochemical identifier: IMPHY008955

Phytochemical name: delta-Octalactone

Synonymous chemical names:
delta octalactone, delta-octalactone, δ-octalactone

External chemical identifiers:
CID:12777, ChEMBL:CHEMBL3182050, FDASRS:8AA944C37V, SureChEMBL:SCHEMBL310717, MolPort-003-987-760

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Chemical structure information

SMILES:
CCCC1CCCC(=O)O1

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

InChIKey:
FYTRVXSHONWYNE-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCC=O)O6

Functional groups:
COC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCCO1

Scaffold Graph/Node level:
OC1CCCCO1

Scaffold Graph level:
CC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Lactones

ClassyFire Subclass: Delta valerolactones

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Lactones

NP-Likeness score: 1.899

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Chemical structure download