Galangin 3-methyl ether - 10mM in DMSO , CAS No.6665-74-3

CAS: 6665-74-3 Cat. No.: G425355 Peso molecular: 284.26

GRADE & PURITY 10mM in DMSO

Synonyms

CHEBI:1602 | MS-24038 | Q27105478 | Galangin3-O-methylether | HY-N4167 | SCHEMBL4631662 | UNII-02887TX99X | 02887TX99X | CCG-214442 | 4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-methoxy-2-phenyl- | Galangin 3-methyl ether;3-Methylgalangin | BDBM50423814 | DTXS

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Information

Galangin 3-methyl ether Galangin 3-methyl ether (3-O-Methylgalangin, 3-Methylgalangin), isolated from Lychnophora markgravii aerial parts, shows strong antibacterial and antifungal effects.

Specifications

Sinónimos

CHEBI:1602 | MS-24038 | Q27105478 | Galangin3-O-methylether | HY-N4167 | SCHEMBL4631662 | UNII-02887TX99X | 02887TX99X | CCG-214442 | 4H-1-Benzopyran-4-one, 5, 7-dihydroxy-3-methoxy-2-phenyl- | Galangin 3-methyl ether;3-Methylgalangin | BDBM50423814 | DTXS

Especificaciones y pureza

10mM in DMSO

Mecanismos bioquímicos y fisiológicos

Galangin 3-methyl ether (3-O-Methylgalangin, 3-Methylgalangin), isolated from Lychnophora markgravii aerial parts, shows strong antibacterial and antifungal effects.

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

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

Propiedades del producto

• ALogP: 2.34
• hba_count: 3
• Recuento HBD: 2
• Enlace rotable: 2

Nombres e identificadores

• Sonrisas canónicas: COC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=CC=C3
• IUPAC Name: 5,7-dihydroxy-3-methoxy-2-phenylchromen-4-one
• InChIKey: LYISDADPVOHJBJ-UHFFFAOYSA-N
• INCHI: 1S/C16H12O5/c1-20-16-14(19)13-11(18)7-10(17)8-12(13)21-15(16)9-5-3-2-4-6-9/h2-8,17-18H,1H3
• Isómeros SMILES: COC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=CC=C3
• Peso molecular: 284.26
• Reaxy-Rn: 385014
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=385014&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Flavonoids
      • Subclass O-methylated flavonoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Flavonoids
• Subclass: O-methylated flavonoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 3-O-methylated flavonoids
• Alternative Parents: Flavones 7-hydroxyflavonoids 5-hydroxyflavonoids 3-methoxychromones Pyranones and derivatives Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Vinylogous acids Heteroaromatic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-methoxyflavonoid-skeleton - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Flavone - Hydroxyflavonoid - 3-methoxychromone - Chromone - Benzopyran - 1-benzopyran - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Vinylogous acid - Heteroaromatic compound - Ether - Organoheterocyclic compound - Oxacycle - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 3-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C3 atom of the flavonoid backbone.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• DMSO (mg/ml) Solubilidad máxima: 100
• DMSO (mM) Solubilidad máxima: 351.790614226412
• Agua (mg/ml) Solubilidad máxima: -1
• Peso molecular: 284.260 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 284.068 Da
• Monoisotopic Mass: 284.068 Da
• Topological Polar Surface Area: 76.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 438.000
• 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