7-Hydroxy-4-chromone - 10mM in DMSO , CAS No.59887-89-7

CAS: 59887-89-7 Cat. No.: H424982 分子式: C₉H₆O₃ 分子量: 162.14 EC番号: 261-973-7

GRADE & PURITY 10mM in DMSO

Synonyms

F6170-0105 | SB22724 | BDBM50077313 | 7-hydroxy-4H-4-chromenone | WVJCRTSTRGRJJT-UHFFFAOYSA-N | 7-Hydroxy-chromen-4-one | 7-hydroxychromen-4-one | ethanol propiolate | hydroxyacetic acid ethylester | ethoxycarbonylmethyl iodide | MFCD00209371 | SCHEMBL546

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

同義語

F6170-0105 | SB22724 | BDBM50077313 | 7-hydroxy-4H-4-chromenone | WVJCRTSTRGRJJT-UHFFFAOYSA-N | 7-Hydroxy-chromen-4-one | 7-hydroxychromen-4-one | ethanol propiolate | hydroxyacetic acid ethylester | ethoxycarbonylmethyl iodide | MFCD00209371 | SCHEMBL546

仕様と純度

10mM in DMSO

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

INHIBITOR

名前と識別子

• パブケム・シド: 528762806
• カノニカル・スマイル: C1=CC2=C(C=C1O)OC=CC2=O
• IUPAC Name: 7-hydroxychromen-4-one
• InChIKey: WVJCRTSTRGRJJT-UHFFFAOYSA-N
• INCHI: 1S/C9H6O3/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5,10H
• 異性体SMILES: C1=CC2=C(C=C1O)OC=CC2=O
• WGKドイツ: 3
• 分子量: 162.14
• Reaxy-Rn: 124490
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=124490&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Benzopyrans
      • Subclass 1-benzopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Not available
• Direct Parent: Chromones
• Alternative Parents: Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chromone - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Oxacycle - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as chromones. These are compounds containing a benzopyran-4-one moiety.
• 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

関連ターゲット（人間）

AKR1B1 Tclin Aldose reductase (1404 Activities)

Discover Target: AKR1B1

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

作用メカニズム

化学的性質と物理的性質

• 分子量: 162.140 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 162.032 Da
• Monoisotopic Mass: 162.032 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 222.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1