Carpachromene - ≥95%(LC/MS-ELSD) , CAS No.57498-96-1

CAS: 57498-96-1 Cat. No.: C463859 Formule: C₂₀H₁₆O₅ Poids moléculaire: 336.34 Numéro CE: 804-187-7

GRADE & PURITY ≥95%(LC/MS-ELSD)

Synonyms

Carpachromene | 5-Hydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one | Carpachromene, >=95% (LC/MS-ELSD) | CHEBI:196359 | 5,4'-Dihidroxy-6'',6''-dimethylpyrano[2'',3'':7,6]flavone | AKOS040734718 | HY-N3542 | LMPK12110426 | 2-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Description

Natural product derived from plant source.}

Specifications

Synonymes

Carpachromene | 5-Hydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one | Carpachromene, >=95% (LC/MS-ELSD) | CHEBI:196359 | 5,4'-Dihidroxy-6'',6''-dimethylpyrano[2'',3'':7,6]flavone | AKOS040734718 | HY-N3542 | LMPK12110426 | 2-

Spécifications et pureté

≥95%(LC/MS-ELSD)

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%(LC/MS-ELSD)

Noms et identifiants

• Sourires canoniques: CC1(C=CC2=C(O1)C=C3C(=C2O)C(=O)C=C(O3)C4=CC=C(C=C4)O)C
• IUPAC Name: 5-hydroxy-8-(4-hydroxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one
• InChIKey: YXOATFKTEDZPFL-UHFFFAOYSA-N
• INCHI: 1S/C20H16O5/c1-20(2)8-7-13-16(25-20)10-17-18(19(13)23)14(22)9-15(24-17)11-3-5-12(21)6-4-11/h3-10,21,23H,1-2H3
• Isomères SMILES: CC1(C=CC2=C(O1)C=C3C(=C2O)C(=O)C=C(O3)C4=CC=C(C=C4)O)C
• Numéro ONU: 3077
• Poids moléculaire: 336.34
• Reaxy-Rn: 1629290
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1629290&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Flavonoids
      • Subclass Pyranoflavonoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Flavonoids
• Subclass: Pyranoflavonoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyranoflavonoids
• Alternative Parents: 4'-hydroxyflavonoids 5-hydroxyflavonoids Flavones Pyranochromenes 2,2-dimethyl-1-benzopyrans Chromones Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Pyranones and derivatives Benzene and substituted derivatives Heteroaromatic compounds Vinylogous acids Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyranoflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - Flavone - Hydroxyflavonoid - Pyranochromene - 2,2-dimethyl-1-benzopyran - Chromone - Benzopyran - 1-benzopyran - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Vinylogous acid - Oxacycle - Organoheterocyclic compound - Ether - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyranoflavonoids. These are compounds containing a pyran ring fused to a 2-phenyl-1,4-benzopyran skeleton.
• External Descriptors: Flavones and Flavonols

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

Cibles associées (non humaines)

Plasmodium falciparum (966862 Activities)

Explore this target

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

Mécanismes d'action

Propriétés chimiques et physiques

• Point d'éclair (°F): Not applicable
• Point d'éclair (°C): Not applicable
• Poids moléculaire: 336.300 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 336.1 Da
• Monoisotopic Mass: 336.1 Da
• Topological Polar Surface Area: 76.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 599.000
• 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

Foire aux questions

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 57498-96-1, the molecular formula is C20H16O5, and the molecular weight is 336.34 g/mol. InChIKey YXOATFKTEDZPFL-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.