(±)-Pinostrobin - Moligand™, ≥99% , CAS No.75291-74-6

CAS: 75291-74-6 Cat. No.: P690663 Fórmula: C₁₆H₁₄O₄ Peso molecular: 270.28 Número EC: 694-714-5

GRADE & PURITY Moligand™, ≥99%

Synonyms

5-Hydroxy-7-methoxy-2-phenylchroman-4-one | 5-HYDROXY-7-METHOXYFLAVANONE

Storage

Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

5-Hydroxy-7-methoxy-2-phenylchroman-4-one | 5-HYDROXY-7-METHOXYFLAVANONE

Especificaciones y pureza

Moligand™, ≥99%

Condiciones de almacenamiento de almacenamiento

Store at -20°C,Argon charged,Desiccated

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Pureza

≥99%

Nombres e identificadores

Sonrisas canónicas

COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC=CC=C3)O

IUPAC Name

5-hydroxy-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one

InChIKey

ORJDDOBAOGKRJV-UHFFFAOYSA-N

INCHI

1S/C16H14O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-8,14,17H,9H2,1H3

Isómeros SMILES

COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC=CC=C3)O

CAS alternativo

75291-74-6,480-37-5

Términos de entrada MeSH

5-hydroxy-7-methoxy-2-phenyl-2,3-dihydro-4H-chromen-4-one;5-hydroxy-7-methoxyflavanone;pinostrobin

Peso molecular

270.28

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Flavonoids
      • Subclass O-methylated flavonoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Flavonoids
• Subclass: O-methylated flavonoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 7-O-methylated flavonoids
• Alternative Parents: Flavanones 5-hydroxyflavonoids Chromones Aryl alkyl ketones Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Vinylogous acids Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 7-methoxyflavonoid-skeleton - Flavanone - 5-hydroxyflavonoid - Hydroxyflavonoid - Flavan - Chromone - Benzopyran - Chromane - 1-benzopyran - Anisole - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Ketone - Organoheterocyclic compound - Oxacycle - Ether - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 7-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 270.280 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 270.089 Da
• Monoisotopic Mass: 270.089 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 350.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1