Summary

IMPPAT Phytochemical identifier: IMPHY017066

Phytochemical name: 3-Methylfuran

Synonymous chemical names:
3-methylfuran

External chemical identifiers:
CID:13587, ChEBI:172946, ZINC:ZINC000001580392, FDASRS:5R72A0440N, SureChEMBL:SCHEMBL33265, MolPort-019-910-356

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Chemical structure information

SMILES:
Cc1cocc1

InChI:
InChI=1S/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H3

InChIKey:
KJRRQXYWFQKJIP-UHFFFAOYSA-N

DeepSMILES:
Cccocc5

Functional groups:
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: Organoheterocyclic compounds

ClassyFire Class: Heteroaromatic compounds

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP-Likeness score: 0.38

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Chemical structure download