Galangin 3-methyl ether - ≥98% , CAS No.6665-74-3

CAS: 6665-74-3 Cat. No.: G412900 Summenformel: C₁₆H₁₂O₅ Molekulargewicht: 284.26

GRADE & PURITY ≥98%

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

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

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

Synonyme

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

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

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

Storage

Protected from light,Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Produkteigenschaften

ALogP

2.34

hba_count

3

HBD-Zahl

2

Rotationsfähige Bindung

2

Namen und Kennungen

Pubchem Sid

504763392

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504763392

Kanonisches Lächeln

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

Isomere SMILES

COC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=CC=C3

Molekulargewicht

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
    • Klasse Flavonoids
      • Subclass O-methylated flavonoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: 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
• Beschreibung: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solubility (25°C) In vitro DMSO: 100 mg/mL (351.79 mM)
• Empfindlichkeit: Light sensitive
• DMSO (mg/ml) Maximale Löslichkeit: 100
• DMSO (mM) Maximale Löslichkeit: 351.790614226412
• Wasser (mg/ml) Maximale Löslichkeit: -1
• Molekulargewicht: 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