Summary

IMPPAT Phytochemical identifier: IMPHY002726

Phytochemical name: 6-Hydroxyquinoline

Synonymous chemical names:
6-hydroxyquinoline

External chemical identifiers:
CID:11374, ChEMBL:CHEMBL1908053, ChEBI:48994, ZINC:ZINC000000331725, FDASRS:95RU6I7UXL, SureChEMBL:SCHEMBL112289, MolPort-000-140-082

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Chemical structure information

SMILES:
Oc1ccc2c(c1)cccn2

InChI:
InChI=1S/C9H7NO/c11-8-3-4-9-7(6-8)2-1-5-10-9/h1-6,11H

InChIKey:
OVYWMEWYEJLIER-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)cccn6

Functional groups:
cO, cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2ncccc2c1

Scaffold Graph/Node level:
C1CCC2NCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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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: -0.375

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Chemical structure download