Summary

IMPPAT Phytochemical identifier: IMPHY009467

Phytochemical name: gamma-Decalactone

Synonymous chemical names:
a-decalactone, decalactone gamma,, decalactone,gamma-, gamma-decalactone, γ-decalactone

External chemical identifiers:
CID:12813, ChEMBL:CHEMBL365740, ChEBI:145740, FDASRS:7HLS05KP9O, SureChEMBL:SCHEMBL113200, MolPort-001-769-697

---

Chemical structure information

SMILES:
CCCCCCC1CCC(=O)O1

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

InChIKey:
IFYYFLINQYPWGJ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCC=O)O5

Functional groups:
COC(C)=O

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCO1

Scaffold Graph/Node level:
OC1CCCO1

Scaffold Graph level:
CC1CCCC1

---

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: 1.94

---

Chemical structure download