Dihydrodaidzein - ≥98% , CAS No.17238-05-0

CAS: 17238-05-0 Cat. No.: D305169 Summenformel: C₁₅H₁₂O₄ Molekulargewicht: 256.26 EG-Nummer: 112-251-4

QUALITÄT & REINHEIT ≥98%

Synonyms

2,3-dihydro-7-hydroxy-3-(4-hydroxyphenyl)-4H-1-Benzopyran-4-one | MFCD00210494 | dihydrodaidzein | Isoflavanone, 4',7-dihydroxy- | BS-16977 | DTXSID70912308 | (R)-23-Dihydro-7-hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one | J-010813 | FT-0666948 | (+/

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Dihydrodaidzein, an active, estrogenic metabolite of daidzein in colonic bacteria, probably is further metabolized to various bioactive compounds including equol. As an estrogen receptor agonist, dihydrodaidzein, at micromolar concentrations, activates the estrogen receptor-dependent growth of breast cancer cells. Daidzein, an isoflavonoid phytoestrogenic compound, is found in soybeans, clover, kudzu, and other legumes.

Spezifikationen

Synonyme

2,3-dihydro-7-hydroxy-3-(4-hydroxyphenyl)-4H-1-Benzopyran-4-one | MFCD00210494 | dihydrodaidzein | Isoflavanone, 4',7-dihydroxy- | BS-16977 | DTXSID70912308 | (R)-23-Dihydro-7-hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one | J-010813 | FT-0666948 | (+/

Spezifikationen & Reinheit

≥98%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504757692

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757692

Kanonisches Lächeln

C1C(C(=O)C2=C(O1)C=C(C=C2)O)C3=CC=C(C=C3)O

IUPAC Name

7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

InChIKey

JHYXBPPMXZIHKG-UHFFFAOYSA-N

INCHI

1S/C15H12O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-7,13,16-17H,8H2

Isomere SMILES

C1C(C(=O)C2=C(O1)C=C(C=C2)O)C3=CC=C(C=C3)O

Molekulargewicht

256.26

Reaxy-Rn

1290123

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1290123&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Klasse Isoflavonoids
      • Subclass Isoflavans

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: Isoflavonoids
• Subclass: Isoflavans
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoflavanones
• Alternative Parents: Isoflavanols Hydroxyisoflavonoids Chromones Aryl alkyl ketones Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hydroxyisoflavonoid - Isoflavanol - Isoflavanone - Chromone - Chromane - Benzopyran - 1-benzopyran - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Ketone - Oxacycle - Ether - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as isoflavanones. These are polycyclic compounds containing an isoflavan skeleton which bears a ketone at position C4.
• External Descriptors: an isoflavone

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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Heat Sensitive
• Schmelzpunkt (°C): 250 °C
• Molekulargewicht: 256.250 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 256.074 Da
• Monoisotopic Mass: 256.074 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 335.000
• 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