Summary

IMPPAT Phytochemical identifier: IMPHY001224

Phytochemical name: Methyl 2,6-dihydroxy-4-quinolinecarboxylate

Synonymous chemical names:
4-carbomethoxy-6-hydroxy-2-quinolone

External chemical identifiers:
CID:10331015, ChEMBL:CHEMBL484460

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Chemical structure information

SMILES:
COC(=O)c1cc(=O)[nH]c2c1cc(O)cc2

InChI:
InChI=1S/C11H9NO4/c1-16-11(15)8-5-10(14)12-9-3-2-6(13)4-7(8)9/h2-5,13H,1H3,(H,12,14)

InChIKey:
VMFVSNYOKIVXJO-UHFFFAOYSA-N

DeepSMILES:
COC=O)ccc=O)[nH]cc6ccO)cc6

Functional groups:
c=O, cC(=O)OC, cO, c[nH]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1ccc2ccccc2[nH]1

Scaffold Graph/Node level:
OC1CCC2CCCCC2N1

Scaffold Graph level:
CC1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Quinolines and derivatives

ClassyFire Subclass: Hydroxyquinolines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids, Anthranilic acid alkaloids

NP Classifier Class: Quinoline alkaloids

NP-Likeness score: 0.095

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Chemical structure download