5-Methoxyflavone - 10mM in DMSO , CAS No.42079-78-7

CAS: 42079-78-7 Cat. No.: M423902 Summenformel: C₁₆H₁₂O₃ Molekulargewicht: 252.27 EG-Nummer: 255-652-0

GRADE & PURITY 10mM in DMSO

Synonyms

NCGC00142613-02 | Ivermectin Component B1a | MEGxp0_001704 | ACon1_000175 | BDBM50296862 | T72452 | Oprea1_859852 | M2365 | XRQSPUXANRGDAV-UHFFFAOYSA-N | DTXSID40194917 | EINECS 255-652-0 | MFCD00016942 | NCGC00180810-01 | AS-62240 | NCGC00142613-01 | 5-m

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyme

NCGC00142613-02 | Ivermectin Component B1a | MEGxp0_001704 | ACon1_000175 | BDBM50296862 | T72452 | Oprea1_859852 | M2365 | XRQSPUXANRGDAV-UHFFFAOYSA-N | DTXSID40194917 | EINECS 255-652-0 | MFCD00016942 | NCGC00180810-01 | AS-62240 | NCGC00142613-01 | 5-m

Spezifikationen & Reinheit

10mM in DMSO

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

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

Aktionsart

INHIBITOR

Namen und Kennungen

• Pubchem Sid: 528761939
• Kanonisches Lächeln: COC1=CC=CC2=C1C(=O)C=C(O2)C3=CC=CC=C3
• IUPAC Name: 5-methoxy-2-phenylchromen-4-one
• InChIKey: XRQSPUXANRGDAV-UHFFFAOYSA-N
• INCHI: 1S/C16H12O3/c1-18-13-8-5-9-14-16(13)12(17)10-15(19-14)11-6-3-2-4-7-11/h2-10H,1H3
• Isomere SMILES: COC1=CC=CC2=C1C(=O)C=C(O2)C3=CC=CC=C3
• Molekulargewicht: 252.27
• Reaxy-Rn: 220946
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=220946&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: 5-O-methylated flavonoids
• Alternative Parents: Flavones Chromones Anisoles Pyranones and derivatives Alkyl aryl ethers Benzene and substituted derivatives Vinylogous esters Heteroaromatic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 5-methoxyflavonoid-skeleton - Flavone - Chromone - Benzopyran - 1-benzopyran - Anisole - Alkyl aryl ether - Pyranone - Pyran - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous ester - Organoheterocyclic compound - Oxacycle - Ether - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 5-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C5 atom of the flavonoid backbone.
• 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

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NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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ACHE Tclin Acetylcholinesterase (18204 Activities)

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PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

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HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

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POLK Tbio DNA polymerase kappa (8653 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

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HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)

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Rattus norvegicus (775804 Activities)

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Luciferase (58 Activities)

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BCHE Cholinesterase (8742 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 132 °C
• Molekulargewicht: 252.260 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 252.079 Da
• Monoisotopic Mass: 252.079 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 368.000
• 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

Referenzen

1. Yi Wu, Ying He, Huiqing Luo, Tingting Jin, Feng He.  (2023)  AIEE-Active Flavones as a Promising Tool for the Real-Time Tracking of Uptake and Distribution in Live Zebrafish.  INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES,  24  (12): (10183).  [PMID:37373329] [10.3390/ijms241210183]

2. Mengrong Hu, Zheng Li, Shufang Gao, Han Pan, Jian Luo.  (2025)  Photophysical properties of 5-methoxyflavone and its protonated species influenced by intermolecular hydrogen bonding and environmental rigidity.  DYES AND PIGMENTS,      [PMID:] [10.1016/j.dyepig.2025.113269]