Summary

IMPPAT Phytochemical identifier: IMPHY014279

Phytochemical name: 2,8-Dihydroxy-4-quinolinecarboxylic acid

Synonymous chemical names:
zeanic acid

External chemical identifiers:
CID:13988328, ChEBI:173574, ZINC:ZINC000015116104, MolPort-028-750-745

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Chemical structure information

SMILES:
OC(=O)c1cc(=O)[nH]c2c1cccc2O

InChI:
InChI=1S/C10H7NO4/c12-7-3-1-2-5-6(10(14)15)4-8(13)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15)

InChIKey:
DVEVPRIOUKVFAM-UHFFFAOYSA-N

DeepSMILES:
OC=O)ccc=O)[nH]cc6cccc6O

Functional groups:
c=O, cC(=O)O, 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: Quinoline carboxylic acids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids, Anthranilic acid alkaloids

NP Classifier Class: Quinoline alkaloids

NP-Likeness score: 0.29

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Chemical structure download