4',6,7-Trihydroxyisoflavone - Moligand™, ≥95% , CAS No.17817-31-1

CAS: 17817-31-1 Cat. No.: T405041 分子式: C₁₅H₁₀O₅ 分子量: 270.24 PubChem CID: 5284649

GRADE & PURITY Moligand™, ≥95%

Synonyms

UNII-PLM2K574GE | XD161696 | 4',6,7-trihydroxy isoflavone | XD161701 | LMPK12050102 | 4'',6,7,-trihydroxyisoflavone | 4',6,7,-Trihydroxyisoflavone | Q23055293 | BDBM50222303 | 6,7-Dihydroxy-3-(4-hydroxy-phenyl)-chromen-4-one | Demethyltexasin | 6,7-Dihydr

Storage

Store at 2-8°C

Shipped In

Wet ice

概要

Maximum Absorption Wavelength:326(MeOH)nm

Specifications

同義語

UNII-PLM2K574GE | XD161696 | 4',6,7-trihydroxy isoflavone | XD161701 | LMPK12050102 | 4'',6,7,-trihydroxyisoflavone | 4',6,7,-Trihydroxyisoflavone | Q23055293 | BDBM50222303 | 6,7-Dihydroxy-3-(4-hydroxy-phenyl)-chromen-4-one | Demethyltexasin | 6,7-Dihydr

仕様と純度

Moligand™, ≥95%

保管条件

Store at 2-8°C

入荷

Wet ice

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。

等級

Moligand™

アクションタイプ

INHIBITOR

純度

≥95%

名前と識別子

パブケム・シド

528759335

カノニカル・スマイル

C1=CC(=CC=C1C2=COC3=CC(=C(C=C3C2=O)O)O)O

IUPAC Name

6,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one

InChIKey

GYLUFQJZYAJQDI-UHFFFAOYSA-N

INCHI

1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-14-6-13(18)12(17)5-10(14)15(11)19/h1-7,16-18H

異性体SMILES

C1=CC(=CC=C1C2=COC3=CC(=C(C=C3C2=O)O)O)O

PubChem CID

5284649

分子量

270.24

Reaxy-Rn

1291621

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 分類 Isoflavonoids
      • Subclass Isoflav-2-enes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 分類: Isoflavonoids
• Subclass: Isoflav-2-enes
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoflavones
• Alternative Parents: Hydroxyisoflavonoids Chromones Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Heteroaromatic compounds Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isoflavone - Hydroxyisoflavonoid - Chromone - Benzopyran - 1-benzopyran - Pyranone - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Pyran - Heteroaromatic compound - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom.
• External Descriptors: a small molecule

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

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in Dimethylformamide
• 分子量: 270.240 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 270.053 Da
• Monoisotopic Mass: 270.053 Da
• Topological Polar Surface Area: 87.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 410.000
• 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