Summary

IMPPAT Phytochemical identifier: IMPHY009746

Phytochemical name: Dihydrojasmone lactone

Synonymous chemical names:
dihydrojasmone lactone

External chemical identifiers:
CID:285097, ChEMBL:CHEMBL3182347, ChEBI:171848, FDASRS:ANJ13KO1RK, SureChEMBL:SCHEMBL112728

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Chemical structure information

SMILES:
CCCCCCC1(C)CCC(=O)O1

InChI:
InChI=1S/C11H20O2/c1-3-4-5-6-8-11(2)9-7-10(12)13-11/h3-9H2,1-2H3

InChIKey:
ALWUKGXLBSQSMA-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCC)CCC=O)O5

Functional groups:
COC(C)=O

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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-Likeness score: 2.174

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Chemical structure download