7,4′-dimethoxy-3-hydroxyflavone - Reagent grade , CAS No.13198-99-7

CAS: 13198-99-7 Cat. No.: D478667 Formula: C₁₇H₁₄O₅ Peso molecolare: 298.29

GRADE & PURITY Reagent Grade

Synonyms

IFHXSMSQHPVVSF-UHFFFAOYSA-N | NSC 102029 | 7,4-Methoxy-3-hydroxyflavone | NCGC00142596-01 | NCI60_000055 | SCHEMBL4650077 | AKOS024283490 | NSC102029 | NSC-102029 | 3-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one | 7,4'-dimethoxy-3-hydroxyfl

Storage

Room temperature

Specifications

Sinonimi

IFHXSMSQHPVVSF-UHFFFAOYSA-N | NSC 102029 | 7,4-Methoxy-3-hydroxyflavone | NCGC00142596-01 | NCI60_000055 | SCHEMBL4650077 | AKOS024283490 | NSC102029 | NSC-102029 | 3-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one | 7,4'-dimethoxy-3-hydroxyfl

Specifiche e purezza

Reagent grade

Condizioni di conservazione di stoccaggio

Room temperature

Grado

Reagent Grade

Nomi e identificatori

• Sorrisi canonici: COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3)OC)O
• IUPAC Name: 3-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
• InChIKey: IFHXSMSQHPVVSF-UHFFFAOYSA-N
• INCHI: 1S/C17H14O5/c1-20-11-5-3-10(4-6-11)17-16(19)15(18)13-8-7-12(21-2)9-14(13)22-17/h3-9,19H,1-2H3
• Isomeri SMILES: COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3)OC)O
• Numero UN: 2811
• Peso molecolare: 298.29
• Reaxy-Rn: 284553
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=284553&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Flavonoids
      • Subclass Flavones

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Flavonoids
• Subclass: Flavones
• Intermediate Tree Nodes: Not available
• Direct Parent: Flavonols
• Alternative Parents: 7-O-methylated flavonoids 4'-O-methylated flavonoids 3-hydroxyflavonoids Chromones Phenoxy compounds Methoxybenzenes Anisoles Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4p-methoxyflavonoid-skeleton - 7-methoxyflavonoid-skeleton - 3-hydroxyflavone - 3-hydroxyflavonoid - Hydroxyflavonoid - Chromone - Benzopyran - 1-benzopyran - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Oxacycle - Ether - Organoheterocyclic compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as flavonols. These are compounds that contain a flavone (2-phenyl-1-benzopyran-4-one) backbone carrying a hydroxyl group at the 3-position.
• 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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di infiammabilità (°F): Not applicable
• Punto di infiammabilità (°C): Not applicable
• Peso molecolare: 298.290 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 298.084 Da
• Monoisotopic Mass: 298.084 Da
• Topological Polar Surface Area: 65.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 450.000
• 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