Summary

IMPPAT Phytochemical identifier: IMPHY006718

Phytochemical name: 5-Hydroxymaltol

Synonymous chemical names:
2-methyl-3-methylene-hept-trans-5-ene

External chemical identifiers:
CID:70627, ZINC:ZINC000002004458, FDASRS:DBQ2Q3Z4FR, SureChEMBL:SCHEMBL3130251, MolPort-046-201-776

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Chemical structure information

SMILES:
Cc1occ(c(=O)c1O)O

InChI:
InChI=1S/C6H6O4/c1-3-5(8)6(9)4(7)2-10-3/h2,7-8H,1H3

InChIKey:
SSSNQLHKSUJJTE-UHFFFAOYSA-N

DeepSMILES:
Ccoccc=O)c6O)))O

Functional groups:
c=O, cO, coc

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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: 1.633

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Chemical structure download