5,6,7-Trihydroxy-4′-methoxyflavone - ≥95% , CAS No.6563-66-2

CAS: 6563-66-2 Cat. No.: T463116 분자식: C₁₆H₁₂O₆ 분자량: 300.26 PubChem CID: 11174076

GRADE & PURITY ≥95%

Synonyms

4H-1-Benzopyran-4-one, 5,6,7-trihydroxy-2-(4-methoxyphenyl)- | 5,6,7-trihydroxy-2-(4-methoxyphenyl)chromen-4-one | Scutellarein 4'-methyl ether | 5,6,7-trihydroxy-2-(4-methoxyphenyl)-4h-chromen-4-one | SCHEMBL6242511

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

동의어

4H-1-Benzopyran-4-one, 5,6,7-trihydroxy-2-(4-methoxyphenyl)- | 5,6,7-trihydroxy-2-(4-methoxyphenyl)chromen-4-one | Scutellarein 4'-methyl ether | 5,6,7-trihydroxy-2-(4-methoxyphenyl)-4h-chromen-4-one | SCHEMBL6242511

사양 및 순도

≥95%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥95%

이름과 식별자

Pubchem Sid

528761138

정식 스마일

COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)O)O

IUPAC Name

5,6,7-trihydroxy-2-(4-methoxyphenyl)chromen-4-one

InChIKey

XVMMEYCPXZYLAI-UHFFFAOYSA-N

INCHI

1S/C16H12O6/c1-21-9-4-2-8(3-5-9)12-6-10(17)14-13(22-12)7-11(18)15(19)16(14)20/h2-7,18-20H,1H3

이성체 SMILES

COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)O)O

PubChem CID

11174076

분자량

300.26

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 분류: Flavonoids
• Subclass: O-methylated flavonoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 4'-O-methylated flavonoids
• Alternative Parents: 5-hydroxyflavonoids 6-hydroxyflavonoids 7-hydroxyflavonoids Flavones Chromones Phenoxy compounds Methoxybenzenes Anisoles 1-hydroxy-2-unsubstituted benzenoids Pyranones and derivatives 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Vinylogous acids Heteroaromatic compounds Oxacyclic compounds Polyols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4p-methoxyflavonoid-skeleton - Hydroxyflavonoid - Flavone - 5-hydroxyflavonoid - 6-hydroxyflavonoid - 7-hydroxyflavonoid - Chromone - 1-benzopyran - Benzopyran - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Pyranone - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Pyran - Vinylogous acid - Heteroaromatic compound - Ether - Organoheterocyclic compound - Oxacycle - Polyol - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as 4'-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C4' 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

작용 메커니즘

화학 및 물리적 특성

• 용해성: DMSO: 1mg/mL
• 발화점(°F): Not applicable
• 발화점(°C): Not applicable
• 분자량: 300.260 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 300.063 Da
• Monoisotopic Mass: 300.063 Da
• Topological Polar Surface Area: 96.200 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 454.000
• 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