Summary

IMPPAT Phytochemical identifier: IMPHY017806

Phytochemical name: 5-Ethyl-2-furaldehyde

Synonymous chemical names:
5-ethyl-furfural

External chemical identifiers:
CID:89989, ZINC:ZINC000002243037, SureChEMBL:SCHEMBL157526, MolPort-001-791-810

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Chemical structure information

SMILES:
CCc1ccc(o1)C=O

InChI:
InChI=1S/C7H8O2/c1-2-6-3-4-7(5-8)9-6/h3-5H,2H2,1H3

InChIKey:
XADGZBXFWQHBDB-UHFFFAOYSA-N

DeepSMILES:
CCcccco5)C=O

Functional groups:
cC=O, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccoc1

Scaffold Graph/Node level:
C1CCOC1

Scaffold Graph level:
C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Cyclic polyketides

NP Classifier Class: Furans

NP-Likeness score: -0.185

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Chemical structure download