3,7-Dihydroxyflavone - ≥97% , CAS No.492-00-2

CAS: 492-00-2 Cat. No.: D709740 분자식: C₁₅H₁₀O₄ 분자량: 254.24 PubChem CID: 5393152

등급 & 순도 ≥97%

Synonyms

Resogalangin | 3,7-Dihydroxy-2-phenyl-4H-chromen-4-one

Storage

Store at 2-8°C

Shipped In

Wet ice

개요

3,7-Dihydroxyflavone (Resogalangin) is a flavonoid phytoestrogen, which can be isolated from Adenophora species. 3,7-Dihydroxyflavone is a modulator of estrogen receptors and an inhibitor of human progesterone metabolizing enzyme AKR1C1 and fungal 17β-hydroxysteroid dehydrogenase and a redox inhibitor (IC50=0.6 and 6.0 μM, respectively). 3,7-Dihydroxyflavone is a fluorescent binding substrate for human serum albumin (HSA) with excitation wavelengths of 370 nm (pH 7.4) and 350 nm (pH 3.5), respectively, and emission wavelength of 515 nm.

사양

동의어

Resogalangin | 3,7-Dihydroxy-2-phenyl-4H-chromen-4-one

사양 및 순도

≥97%

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥97%

이름과 식별자

Pubchem Sid

528758052

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528758052

정식 스마일

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

IUPAC Name

3,7-dihydroxy-2-phenylchromen-4-one

InChIKey

UWQJWDYDYIJWKY-UHFFFAOYSA-N

INCHI

1S/C15H10O4/c16-10-6-7-11-12(8-10)19-15(14(18)13(11)17)9-4-2-1-3-5-9/h1-8,16,18H

이성체 SMILES

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

PubChem CID

5393152

분자량

254.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 분류 Flavonoids
      • Subclass Flavones

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 분류: Flavonoids
• Subclass: Flavones
• Intermediate Tree Nodes: Not available
• Direct Parent: Flavonols
• Alternative Parents: 7-hydroxyflavonoids 3-hydroxyflavonoids Chromones Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Heteroaromatic compounds Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-hydroxyflavone - 3-hydroxyflavonoid - 7-hydroxyflavonoid - Hydroxyflavonoid - Chromone - Benzopyran - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Organoheterocyclic compound - Oxacycle - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as flavonols. These are compounds that contain a flavone (2-phenyl-1-benzopyran-4-one) backbone carrying a hydroxyl group at the 3-position.
• 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

관련 대상(인간)

PIM1 Tchem Serine/threonine-protein kinase PIM1 (9629 Activities)

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ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)

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ALOX12 Tchem Arachidonate 12-lipoxygenase (3262 Activities)

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FASN Tchem Fatty acid synthase (3390 Activities)

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CASP1 Tchem Caspase-1 (6235 Activities)

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ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

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CASP7 Tchem Caspase-7 (3146 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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MCF7 (126967 Activities)

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NCI-H460 (60772 Activities)

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HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 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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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

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USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

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MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

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관련 대상(비인간)

DPP4 Dipeptidyl peptidase IV (11 Activities)

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PREP Prolyl endopeptidase (14 Activities)

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Abcb1b P-glycoprotein 1 (174 Activities)

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Plasmodium falciparum (966862 Activities)

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fabG 3-oxoacyl-acyl-carrier protein reductase (70 Activities)

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fabI Enoyl-acyl-carrier protein reductase (415 Activities)

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GCN5 Histone acetyltransferase GCN5 (89 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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FTL Ferritin light chain (43324 Activities)

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Ntrk2 BDNF/NT-3 growth factors receptor (124 Activities)

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E6 Protein E6 (25 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 분자량: 254.240 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 254.058 Da
• Monoisotopic Mass: 254.058 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 395.000
• 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