10-Hydroxywarfarin , CAS No.83219-99-2

CAS: 83219-99-2 Cat. No.: H1438796 분자식: C19H16O5 EC 번호: 621-581-2 PubChem CID: 54692492

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

10-Hydroxywarfarin, a metabolite of (R)-(+)-Warfarin , is a CYP2C9 and vitamin K epoxide reductase complex 1 (VKOR) inhibitor with IC 50 s of 1.6 µM and 80 ng/mL, respectively.

Specifications

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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작업 유형

INHIBITOR

이름과 식별자

• 정식 스마일: CC(=O)C(C(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O)O
• IUPAC Name: 4-hydroxy-3-(2-hydroxy-3-oxo-1-phenylbutyl)chromen-2-one
• InChIKey: BPZSPAZBZFZZBN-UHFFFAOYSA-N
• INCHI: 1S/C19H16O5/c1-11(20)17(21)15(12-7-3-2-4-8-12)16-18(22)13-9-5-6-10-14(13)24-19(16)23/h2-10,15,17,21-22H,1H3
• 이성체 SMILES: CC(=O)C(C(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O)O
• PubChem CID: 54692492

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 분류 Coumarins and derivatives
      • Subclass Hydroxycoumarins

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 분류: Coumarins and derivatives
• Subclass: Hydroxycoumarins
• Intermediate Tree Nodes: Not available
• Direct Parent: 4-hydroxycoumarins
• Alternative Parents: 1-benzopyrans Pyranones and derivatives Benzene and substituted derivatives Acyloins Vinylogous acids Heteroaromatic compounds Alpha-hydroxy ketones Secondary alcohols Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4-hydroxycoumarin - Benzopyran - 1-benzopyran - Pyranone - Acyloin - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Alpha-hydroxy ketone - Vinylogous acid - Secondary alcohol - Lactone - Ketone - Organoheterocyclic compound - Oxacycle - Alcohol - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as 4-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to C4-position the coumarin skeleton.
• 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