Summary
IMPPAT Phytochemical identifier: IMPPAT3_PHYID000390
Phytochemical name: 6-Hydroxyquinoline
Synonymous chemical names:6-hydroxyquinoline
External chemical identifiers:CID:CID_11374, ChEMBL:CHEMBL1908053, ChEBI:CHEBI:48994, ZINC:ZINC000000331725, FDASRS:95RU6I7UXL, SureChEMBL:SCHEMBL112289, MolPort-000-140-082
Chemical structure information
SMILES:
Oc1ccc2c(c1)cccn2InChI:
InChI=1S/C9H7NO/c11-8-3-4-9-7(6-8)2-1-5-10-9/h1-6,11HInChIKey:
OVYWMEWYEJLIER-UHFFFAOYSA-NDeepSMILES:
Occcccc6)cccn6Functional groups:
cO, cncLink to spectral information:
MSBNK-Fac_Eng_Univ_Tokyo-JP000496, MSBNK-UFZ-UA006901
Molecular scaffolds
Scaffold Graph/Node/Bond level:
c1ccc2ncccc2c1Scaffold Graph/Node level:
C1CCC2NCCCC2C1Scaffold Graph level:
C1CCC2CCCCC2C1
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Organoheterocyclic compoundsClassyFire 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
Chemical structure download
