3'-Demethylnobiletin - ≥99% , CAS No.112448-39-2

CAS: 112448-39-2 Cat. No.: D649022 Summenformel: C₂₀H₂₀O₈ Molekulargewicht: 388.37 PubChem CID: 183466

GRADE & PURITY ≥99%

Synonyms

PD125556 | 3'-Hydroxy-4',5,6,7,8-pentamethoxyflavone | SCHEMBL1764091 | LMPK12111478 | 2-(3-hydroxy-4-methoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one | HY-N4127 | AKOS030530144 | CHEBI:175928 | FT-0775330 | 4H-1-Benzopyran-4-one, 2-(3-hydroxy-4-methoxyph

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

3'-Demethylnobiletin, a derivative of Nobiletin, is a polymethoxyflavonoid in citrus fruits. Nobiletin exhibits anticancer activity and inhibits tumor angiogenesis by regulating Src , FAK , and STAT3 signaling .

Form:Solid

Specifications

Synonyme

PD125556 | 3'-Hydroxy-4',5,6,7,8-pentamethoxyflavone | SCHEMBL1764091 | LMPK12111478 | 2-(3-hydroxy-4-methoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one | HY-N4127 | AKOS030530144 | CHEBI:175928 | FT-0775330 | 4H-1-Benzopyran-4-one, 2-(3-hydroxy-4-methoxyph

Spezifikationen & Reinheit

≥99%

Biochemische und physiologische Mechanismen

3'-Demethylnobiletin, a derivative of Nobiletin, is a polymethoxyflavonoid in citrus fruits. Nobiletin exhibits anticancer activity and inhibits tumor angiogenesis by regulating Src , FAK , and STAT3 signaling.

Storage

Protected from light,Store at -80°C

Verschickt in

Dry ice packs + Cold packs

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

Reinheit

≥99%

Namen und Kennungen

Kanonisches Lächeln

COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)O

IUPAC Name

2-(3-hydroxy-4-methoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one

InChIKey

XFYYZBJXMSDKCV-UHFFFAOYSA-N

INCHI

1S/C20H20O8/c1-23-13-7-6-10(8-11(13)21)14-9-12(22)15-16(24-2)18(25-3)20(27-5)19(26-4)17(15)28-14/h6-9,21H,1-5H3

Isomere SMILES

COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)O

Alternative CAS-Nummer

112448-39-2

PubChem CID

183466

MeSH-Eintrag

3'-demethylnobiletin

Molekulargewicht

388.37

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: 8-O-methylated flavonoids
• Alternative Parents: 4'-O-methylated flavonoids 5-O-methylated flavonoids 6-O-methylated flavonoids 7-O-methylated flavonoids 3'-hydroxyflavonoids Flavones Monohydroxyflavonoids Chromones Methoxyphenols Methoxybenzenes Anisoles Phenoxy compounds 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Vinylogous esters Oxacyclic compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 7-methoxyflavonoid-skeleton - 6-methoxyflavonoid-skeleton - 8-methoxyflavonoid-skeleton - 5-methoxyflavonoid-skeleton - 4p-methoxyflavonoid-skeleton - Flavone - Hydroxyflavonoid - Monohydroxyflavonoid - 3'-hydroxyflavonoid - Chromone - 1-benzopyran - Methoxyphenol - Benzopyran - Methoxybenzene - Anisole - Phenoxy compound - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Pyran - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous ester - Ether - Organoheterocyclic compound - Oxacycle - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 8-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C8 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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO : 100 mg/mL (257.49 mM; Need ultrasonic)
• Molekulargewicht: 388.400 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 388.116 Da
• Monoisotopic Mass: 388.116 Da
• Topological Polar Surface Area: 92.700 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 579.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?80 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

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

The CAS Number is 112448-39-2, the molecular formula is C20H20O8, and the molecular weight is 388.37 g/mol. InChIKey XFYYZBJXMSDKCV-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.