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

CAS: 486-63-5 Cat. No.: I649704 Molecular Weight: 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

Overview

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

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

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

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.

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O
• Alternate CAS: 486-63-5
• PubChem CID: 3764
• MeSH Entry Terms: 3-(4-hydroxyphenyl)-7-methoxychromen-4-one;4'-hydroxy-7-methoxyisoflavone;isoformononetin
• Molecular Weight: 268.26

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: 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

Associated Targets(Human)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : 250 mg/mL (931.93 mM; Need ultrasonic)
• Sensitivity: Light sensitive
• Molecular Weight: 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