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

CAS: 574-12-9 Cat. No.: S694405 Formula: C₁₅H₁₀O₂ Peso molecolare: 222.24 Numero EC: 611-522-9 PubChem CID: 72304

QUALITÀ & PUREZZA 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

Specifiche

Sinonimi

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

Specifiche e purezza

BioReagent, ≥40%, mixture

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

BioReagent

Purezza

≥40%

Nomi e identificatori

Pubchem Sid

528771245

Sorrisi canonici

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

Isomeri SMILES

C1=CC=C(C=C1)C2=COC3=CC=CC=C3C2=O

CAS alternativo

574-12-9

PubChem CID

72304

Numero NSC

135405

Termini 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 molecolare

222.24

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: 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
• Descrizione: 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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 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