Summary

IMPPAT Phytochemical identifier: IMPHY012487

Phytochemical name: Menthofuran

Synonymous chemical names:
menthofuran, menthofurane

External chemical identifiers:
CID:329983, ChEMBL:CHEMBL1522900, ChEBI:50542, FDASRS:LK024V9U3C, SureChEMBL:SCHEMBL1472618, MolPort-003-960-080

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Chemical structure information

SMILES:
CC1CCc2c(C1)occ2C

InChI:
InChI=1S/C10H14O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h6-7H,3-5H2,1-2H3

InChIKey:
YGWKXXYGDYYFJU-UHFFFAOYSA-N

DeepSMILES:
CCCCccC6)occ5C

Functional groups:
coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1cc2c(o1)CCCC2

Scaffold Graph/Node level:
C1CCC2OCCC2C1

Scaffold Graph level:
C1CCC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Monocyclic monoterpenoids

NP-Likeness score: 1.183

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Chemical structure download