Summary

IMPPAT Phytochemical identifier: IMPHY014657

Phytochemical name: (z)-5-Decen-4-olide

Synonymous chemical names:
(z) 5-decan-4-olide, (z)-5-decen-4-olide, (z)5-decen-4-olide

External chemical identifiers:
CID:129847954

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Chemical structure information

SMILES:
CCCC/C=CC1CCC(=O)O1

InChI:
InChI=1S/C10H16O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h5-6,9H,2-4,7-8H2,1H3/b6-5-

InChIKey:
PMHUBJASDAOHML-WAYWQWQTSA-N

DeepSMILES:
CCCC/C=CCCCC=O)O5

Functional groups:
C/C=CC, 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 Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Lactones

NP-Likeness score: 2.861

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Chemical structure download