Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID002958

Phytochemical name: Maltol

Synonymous chemical names:
3-hydroxy-2-methyl-4H-pyran-4-one, maltol⁄, 3-hydroxy-2-methyl-4h-pyran-4-one, Maltol, maltol

External chemical identifiers:
CID:CID_8369, ChEMBL:CHEMBL31422, ChEBI:CHEBI:69438, ZINC:ZINC000000164488, FDASRS:3A9RD92BS4, SureChEMBL:SCHEMBL4815, MolPort-000-741-877

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Chemical structure information

SMILES:
O=c1ccoc(c1O)C

InChI:
InChI=1S/C6H6O3/c1-4-6(8)5(7)2-3-9-4/h2-3,8H,1H3

InChIKey:
XPCTZQVDEJYUGT-UHFFFAOYSA-N

DeepSMILES:
O=cccocc6O))C

Functional groups:
c=O, coc, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1ccocc1

Scaffold Graph/Node level:
OC1CCOCC1

Scaffold Graph level:
CC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyrans

ClassyFire Subclass: Pyranones and derivatives

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Cyclic polyketides

NP Classifier Class: 4-pyrone derivatives

NP-Likeness score: 0.919

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Chemical structure download