(3S)-3-amino-1-hydroxy-6-phenoxy-3,4-dihydroquinolin-2-one - Moligand™ , CAS No.S609209

CAS: S609209 Cat. No.: S609209 PubChem CID: 59627101

GRADE & PURITY Moligand™

Synonyms

compound 3

Storage

Room temperature

Specifications

Synonyms

compound 3

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Names and Identifiers

• Canonical Smiles: O=C1[C@@H](N)Cc2c(N1O)ccc(c2)Oc1ccccc1
• IUPAC Name: (3S)-3-amino-1-hydroxy-6-phenoxy-3,4-dihydroquinolin-2-one
• InChIKey: COBQSWIQOSRUIK-ZDUSSCGKSA-N
• INCHI: 1S/C15H14N2O3/c16-13-9-10-8-12(20-11-4-2-1-3-5-11)6-7-14(10)17(19)15(13)18/h1-8,13,19H,9,16H2/t13-/m0/s1
• Isomeric SMILES: C1[C@@H](C(=O)N(C2=C1C=C(C=C2)OC3=CC=CC=C3)O)N
• PubChem CID: 59627101

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Quinolones and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Quinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxyquinolones
• Alternative Parents: Hydroxyquinolines Hydroquinolones Diarylethers Aminoquinolines and derivatives Hydroquinolines Alpha amino acids and derivatives Phenoxy compounds Phenol ethers Aralkylamines Hydroxamic acids Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hydroxyquinolone - Aminoquinoline - Diaryl ether - Tetrahydroquinolone - Hydroxyquinoline - Alpha-amino acid or derivatives - Tetrahydroquinoline - Phenoxy compound - Phenol ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Amino acid or derivatives - Hydroxamic acid - Carboxylic acid derivative - Ether - Azacycle - Primary amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Primary aliphatic amine - Carbonyl group - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as hydroxyquinolones. These are compounds containing a quinoline moiety bearing a hydroxyl group and a ketone. Quinoline or benzo[b]pyridine is a bicyclic compound that consists of benzene fused to a pyridine.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

AADAT Tchem Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (2 Activities)

Discover Target: AADAT

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

KYAT1 Tbio Kynurenine--oxoglutarate transaminase I (96 Activities)

Discover Target: KYAT1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AADAT Tchem Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (207 Activities)

Discover Target: AADAT

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Aadat Kynurenine/alpha-aminoadipate aminotransferase (41 Activities)

Discover Target: Aadat

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rattus norvegicus (775804 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Brain (1 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action