Candidone - ≥95%(LC/MS-ELSD) , CAS No.77727-18-5

CAS: 77727-18-5 Cat. No.: C463882 Formula: C₂₂H₂₄O₄ Peso molecolare: 352.42 Numero EC: 804-743-9

GRADE & PURITY ≥95%(LC/MS-ELSD)

Synonyms

candidone | DTXSID40998932 | AKOS040734364 | CHEBI:187753 | 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dimethoxy-8-(3-methyl-2-butenyl)-2-phenyl-, (2S)- | (2S)-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one | Candidone, >=95% (LC/MS-EL

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

Description

Natural product derived from plant source.}

Specifications

Sinonimi

candidone | DTXSID40998932 | AKOS040734364 | CHEBI:187753 | 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dimethoxy-8-(3-methyl-2-butenyl)-2-phenyl-, (2S)- | (2S)-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one | Candidone, >=95% (LC/MS-EL

Specifiche e purezza

≥95%(LC/MS-ELSD)

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

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

Purezza

≥95%(LC/MS-ELSD)

Nomi e identificatori

• Sorrisi canonici: CC(=CCC1=C2C(=C(C=C1OC)OC)C(=O)CC(O2)C3=CC=CC=C3)C
• IUPAC Name: (2S)-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one
• InChIKey: JYESOAFLKFHYHP-SFHVURJKSA-N
• INCHI: 1S/C22H24O4/c1-14(2)10-11-16-19(24-3)13-20(25-4)21-17(23)12-18(26-22(16)21)15-8-6-5-7-9-15/h5-10,13,18H,11-12H2,1-4H3/t18-/m0/s1
• Isomeri SMILES: CC(=CCC1=C2C(=C(C=C1OC)OC)C(=O)C[C@H](O2)C3=CC=CC=C3)C
• Numero UN: 3077
• Peso molecolare: 352.42
• Reaxy-Rn: 4545355
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4545355&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Flavonoids
      • Subclass Flavans
        • Level5 8-prenylated flavans
          • Level6 8-prenylated flavanones

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Flavonoids
• Subclass: Flavans
• Intermediate Tree Nodes: 8-prenylated flavans
• Direct Parent: 8-prenylated flavanones
• Alternative Parents: 7-O-methylated flavonoids 5-O-methylated flavonoids Flavanones Chromones Aryl alkyl ketones Anisoles Alkyl aryl ethers Benzene and substituted derivatives Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 8-prenylated flavanone - 5-methoxyflavonoid-skeleton - 7-methoxyflavonoid-skeleton - Flavanone - Chromone - Chromane - Benzopyran - 1-benzopyran - Anisole - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Ketone - Organoheterocyclic compound - Oxacycle - Ether - Organooxygen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as 8-prenylated flavanones. These are flavanones that features a C5-isoprenoid substituent at the 8-position.
• External Descriptors: Not available

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

Obiettivi associati (non umani)

Cryz Quinone oxidoreductase (288 Activities)

Discover Target: Cryz

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di infiammabilità (°F): Not applicable
• Punto di infiammabilità (°C): Not applicable
• Peso molecolare: 352.400 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 352.167 Da
• Monoisotopic Mass: 352.167 Da
• Topological Polar Surface Area: 44.800 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 504.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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