Summary

IMPPAT Phytochemical identifier: IMPHY003445

Phytochemical name: 6-Hydroxykynurenic acid

Synonymous chemical names:
6-hydroxykynurenic acid, kynurenic acid,6-hydroxy

External chemical identifiers:
CID:440752, ChEBI:2195, ZINC:ZINC000004097613, SureChEMBL:SCHEMBL975885

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Chemical structure information

SMILES:
Oc1ccc2c(c1)c(=O)cc([nH]2)C(=O)O

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

InChIKey:
CQUUHDQRJWXDPY-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)c=O)cc[nH]6)C=O)O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc[nH]c2ccccc12

Scaffold Graph/Node level:
OC1CCNC2CCCCC12

Scaffold Graph level:
CC1CCCC2CCCCC12

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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: Anthranilic acid alkaloids

NP Classifier Class: Acridone alkaloids

NP-Likeness score: 0.492

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Chemical structure download