Soy isoflavone - BioReagent, ≥40%, mixture , CAS No.574-12-9

CAS: 574-12-9 Cat. No.: S694405 Peso molecular: 222.24 Número EC: 611-522-9 PubChem CID: 72304

GRADE & PURITY BioReagent, ≥40%, mixture

Synonyms

Isoflavone | 3-phenyl-4H-chromen-4-one | 3-Phenylchromone | 3-phenyl-4H-1-benzopyran-4-one | OVO2KUW8H8 | NSC-135405 | NSC135405 | NSC 135405 | DTXSID90205986 | 3-Phenyl-4H-chromen-4-one | 3-Phenylchromone

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

Isoflavone | 3-phenyl-4H-chromen-4-one | 3-Phenylchromone | 3-phenyl-4H-1-benzopyran-4-one | OVO2KUW8H8 | NSC-135405 | NSC135405 | NSC 135405 | DTXSID90205986 | 3-Phenyl-4H-chromen-4-one | 3-Phenylchromone

Especificaciones y pureza

BioReagent, ≥40%, mixture

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Grado

BioReagent

Pureza

≥40%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)C2=COC3=CC=CC=C3C2=O
• IUPAC Name: 3-phenylchromen-4-one
• InChIKey: GOMNOOKGLZYEJT-UHFFFAOYSA-N
• INCHI: 1S/C15H10O2/c16-15-12-8-4-5-9-14(12)17-10-13(15)11-6-2-1-3-7-11/h1-10H
• Isómeros SMILES: C1=CC=C(C=C1)C2=COC3=CC=CC=C3C2=O
• CAS alternativo: 574-12-9
• PubChem CID: 72304
• Número NSC: 135405
• Términos de entrada MeSH: 3 Benzylchroman 4 One;3 Benzylchroman 4 Ones;3 Benzylidene 4 Chromanone;3 Benzylidene 4 Chromanones;3-Benzylchroman-4-One;3-Benzylchroman-4-Ones;3-Benzylidene-4-Chromanone;3-Benzylidene-4-Chromanones;Derivative, Isoflavone;Derivatives, Isoflavone;Homoisof
• Peso molecular: 222.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Isoflavonoids
      • Subclass Isoflav-2-enes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Isoflavonoids
• Subclass: Isoflav-2-enes
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoflavones
• Alternative Parents: Chromones Pyranones and derivatives Benzene and substituted derivatives Heteroaromatic compounds Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isoflavone - Chromone - Benzopyran - 1-benzopyran - Pyranone - Benzenoid - Monocyclic benzene moiety - Pyran - Heteroaromatic compound - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom.
• 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

Objetivos asociados (humanos)

CYP19A1 Tclin Cytochrome P450 19A1 (6099 Activities)

Discover Target: CYP19A1

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

MCF7 (126967 Activities)

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A549 (127892 Activities)

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KB (17409 Activities)

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MDA-MB-231 (73002 Activities)

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Objetivos asociados (no humanos)

Mycobacterium tuberculosis (203094 Activities)

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Rattus norvegicus (775804 Activities)

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L1210 (27553 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 222.240 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 222.068 Da
• Monoisotopic Mass: 222.068 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 326.000
• 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

Referencias

1. Zhao Zhiqi, Deng Yixuan, Li Li, Zhu Liying, Wang Xin, Sun Haibiao, Li Xiaoqiong, Han Xiaoqiang, Li Jinjun.  (2025)  Enhancing Akkermansia growth via phytohormones: a strategy to modulate the gut-bone axis in postmenopausal osteoporosis therapy.  Journal of Translational Medicine,  23  (1): (1-19).  [PMID:40205438] [10.1186/s12967-025-06426-1]

2. Haolin Zhang, Jingjing Zhang, Hui Cao, Petra Högger, Randolph Arroo, Mohamed A. Farag, Avi Shpigelman, Jianbo Xiao, Chunlin Li.  (2025)  Amination of Flavonoids Possessing a Pyrogallol Group in Cell Culture Medium at 37°C.  Food Frontiers,  6  (2): (1058-1078).  [PMID:] [10.1002/fft2.70002]