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

CAS: 6665-74-3 Cat. No.: G425355 Molecular Weight: 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

Overview

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

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

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

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

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Product Properties

• ALogP: 2.34
• hba_count: 3
• HBD Count: 2
• Rotatable Bond: 2

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: COC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=CC=C3
• Molecular Weight: 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
    • Class Flavonoids
      • Subclass O-methylated flavonoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: 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
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• DMSO(mg / mL) Max Solubility: 100
• DMSO(mM) Max Solubility: 351.790614226412
• Water(mg / mL) Max Solubility: -1
• Molecular Weight: 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