5-Methyl-7-methoxyisoflavone - 10mM in DMSO , CAS No.82517-12-2

CAS: 82517-12-2 Cat. No.: M426133 Formula: C₁₇H₁₄O₃ Peso molecolare: 266.29

GRADE & PURITY 10mM in DMSO

Synonyms

Q1176343 | 7-methoxy-5-methyl-3-phenylchromen-4-one | DTXSID201002754 | CCG-267106 | AS-66221 | UNII-NHW23TRU3M | 5-Methyl-7-methoxyisoflavone | 5-methyl-7-methoxy-isoflavone | AC-12239 | F17690 | NHW23TRU3M | HY-N1993 | M3190 | AC-34340 | MFCD03093036 |

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Sinonimi

Q1176343 | 7-methoxy-5-methyl-3-phenylchromen-4-one | DTXSID201002754 | CCG-267106 | AS-66221 | UNII-NHW23TRU3M | 5-Methyl-7-methoxyisoflavone | 5-methyl-7-methoxy-isoflavone | AC-12239 | F17690 | NHW23TRU3M | HY-N1993 | M3190 | AC-34340 | MFCD03093036 |

Specifiche e purezza

10mM in DMSO

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

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Tipo di azione

INHIBITOR

Nomi e identificatori

Pubchem Sid

528761885

Sorrisi canonici

CC1=CC(=CC2=C1C(=O)C(=CO2)C3=CC=CC=C3)OC

IUPAC Name

7-methoxy-5-methyl-3-phenylchromen-4-one

InChIKey

WGOUYULOZZRTFS-UHFFFAOYSA-N

INCHI

1S/C17H14O3/c1-11-8-13(19-2)9-15-16(11)17(18)14(10-20-15)12-6-4-3-5-7-12/h3-10H,1-2H3

Isomeri SMILES

CC1=CC(=CC2=C1C(=O)C(=CO2)C3=CC=CC=C3)OC

Peso molecolare

266.29

Reaxy-Rn

4873024

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4873024&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Isoflavonoids
      • Subclass O-methylated isoflavonoids
        • Level5 7-O-methylated isoflavonoids
          • Level6 7-O-methylisoflavones

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Isoflavonoids
• Subclass: O-methylated isoflavonoids
• Intermediate Tree Nodes: 7-O-methylated isoflavonoids
• Direct Parent: 7-O-methylisoflavones
• Alternative Parents: Isoflavones Chromones Anisoles Pyranones and derivatives Alkyl aryl ethers Benzene and substituted derivatives Heteroaromatic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 7-o-methylisoflavone - Isoflavone - Chromone - Benzopyran - 1-benzopyran - Anisole - Alkyl aryl ether - Pyranone - Pyran - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Oxacycle - Ether - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as 7-o-methylisoflavones. These are isoflavones with methoxy groups attached to the C7 atom of the isoflavone backbone.
• 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 117-121° C
• Peso molecolare: 266.290 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 266.094 Da
• Monoisotopic Mass: 266.094 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 395.000
• 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