Isoformononetin - ≥99% , CAS No.486-63-5

CAS: 486-63-5 Cat. No.: I649704 Formule: C₁₆H₁₂O₄ Poids moléculaire: 268.26 PubChem CID: 3764

GRADE & PURITY ≥99%

Synonyms

MFCD00100838 | 4'-HYDROXY-7-METHOXYISOFLAVONE | DB04202 | 7-methoxy-4'-hydroxyisoflavone | HMO | HY-N7501 | 3-(4-Hydroxyphenyl)-7-methoxy-4H-chromen-4-one | 3-(4-hydroxyphenyl)-7-methoxychromen-4-one | LMPK12050039 | 3-(4-Hydroxyphenyl)-7-methoxy-4H-chrom

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Vue d’ensemble

Isoformononetin is an analog of Daidzein and has immunoprotective effects. Isoformononetin inhibits the differentiation of Th17 and B-cells lymphopoesis to promote osteogenesis in estrogen-deficient bone loss conditions.

Form:Solid

Specifications

Synonymes

MFCD00100838 | 4'-HYDROXY-7-METHOXYISOFLAVONE | DB04202 | 7-methoxy-4'-hydroxyisoflavone | HMO | HY-N7501 | 3-(4-Hydroxyphenyl)-7-methoxy-4H-chromen-4-one | 3-(4-hydroxyphenyl)-7-methoxychromen-4-one | LMPK12050039 | 3-(4-Hydroxyphenyl)-7-methoxy-4H-chrom

Spécifications et pureté

≥99%

Mécanismes biochimiques et physiologiques

Isoformononetin is an analog of Daidzein ( HY-N0019 ) and has immunoprotective effects. Isoformononetin inhibits the differentiation of Th17 and B-cells lymphopoesis to promote osteogenesis in estrogen-deficient bone loss conditions.

Conditions de stockage de stockage

Store at 2-8°C,Protected from light

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥99%

Noms et identifiants

Pubchem Sid

528764967

Sourires canoniques

COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O

IUPAC Name

3-(4-hydroxyphenyl)-7-methoxychromen-4-one

InChIKey

LNIQZRIHAMVRJA-UHFFFAOYSA-N

INCHI

1S/C16H12O4/c1-19-12-6-7-13-15(8-12)20-9-14(16(13)18)10-2-4-11(17)5-3-10/h2-9,17H,1H3

Isomères SMILES

COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O

CAS alternatif

486-63-5

PubChem CID

3764

Termes d'entrée MeSH

3-(4-hydroxyphenyl)-7-methoxychromen-4-one;4'-hydroxy-7-methoxyisoflavone;isoformononetin

Poids moléculaire

268.26

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 1-hydroxy-2-unsubstituted benzenoids 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 - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Ether - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Description: 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: 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

Cibles associées (humaines)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

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

MCF7 (126967 Activities)

Explore this target

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: DMSO : 250 mg/mL (931.93 mM; Need ultrasonic)
• Sensibilité: Light sensitive
• Poids moléculaire: 268.260 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 268.074 Da
• Monoisotopic Mass: 268.074 Da
• Topological Polar Surface Area: 55.800 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