Summary

IMPPAT Phytochemical identifier: IMPHY012896

Phytochemical name: (Z)-5-(3-Hexenyl)dihydrofuran-2(3H)-one

Synonymous chemical names:
γ-jasmolactone

External chemical identifiers:
CID:6019677, FDASRS:0X5NW8SE54, SureChEMBL:SCHEMBL1771763

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Chemical structure information

SMILES:
CC/C=CCCC1CCC(=O)O1

InChI:
InChI=1S/C10H16O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h3-4,9H,2,5-8H2,1H3/b4-3-

InChIKey:
NKNGVPNCSFZRSM-ARJAWSKDSA-N

DeepSMILES:
CC/C=CCCCCCC=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: 2.745

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Chemical structure download