Summary

IMPPAT Phytochemical identifier: IMPHY009939

Phytochemical name: delta-Decalactone

Synonymous chemical names:
decalactone, delta-, decalactone,γ-, delta-decalactone

External chemical identifiers:
CID:12810, ChEMBL:CHEMBL3182189, ChEBI:87327, FDASRS:CNA0S5T234, SureChEMBL:SCHEMBL114875, MolPort-001-769-698

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Chemical structure information

SMILES:
CCCCCC1CCCC(=O)O1

InChI:
InChI=1S/C10H18O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h9H,2-8H2,1H3

InChIKey:
GHBSPIPJMLAMEP-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCC=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: 1.775

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Chemical structure download