5,7-Dihydroxychromone - 10mM in DMSO , CAS No.31721-94-5

CAS: 31721-94-5 Cat. No.: D580284 分子式: C₉H₆O₄ 分子量: 178.14

GRADE & PURITY 10mM in DMSO

Synonyms

DHC | FT-0686568 | 5,7-dihydroxychromen-4-one | 5,7-Dihydroxychromone | AC-6025 | F17673 | C09001 | Q-100396 | Q27105540 | AKOS015999181 | DTXSID30185617 | SCHEMBL1860859 | 5,7-Dihydroxy-4-chromone | B7S | MS-22951 | 5,7-Dihydroxy-4H-1-benzopyran-4-one |

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

同義語

DHC | FT-0686568 | 5,7-dihydroxychromen-4-one | 5,7-Dihydroxychromone | AC-6025 | F17673 | C09001 | Q-100396 | Q27105540 | AKOS015999181 | DTXSID30185617 | SCHEMBL1860859 | 5,7-Dihydroxy-4-chromone | B7S | MS-22951 | 5,7-Dihydroxy-4H-1-benzopyran-4-one |

仕様と純度

10mM in DMSO

生化学的・生理学的メカニズム

5,7-Dihydroxychromone, the extract of Cudrania tricuspidata, activates Nrf2/ARE signal and exerts neuroprotective effects against 6-hydroxydopamine (6-OHDA)-induced oxidative stress and apoptosis. 5,7-Dihydroxychromone inhibits the expression of activated

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

ACTIVATOR

名前と識別子

• パブケム・シド: 528761178
• カノニカル・スマイル: C1=COC2=CC(=CC(=C2C1=O)O)O
• IUPAC Name: 5,7-dihydroxychromen-4-one
• InChIKey: NYCXYKOXLNBYID-UHFFFAOYSA-N
• INCHI: 1S/C9H6O4/c10-5-3-7(12)9-6(11)1-2-13-8(9)4-5/h1-4,10,12H
• 異性体SMILES: C1=COC2=CC(=CC(=C2C1=O)O)O
• 分子量: 178.14
• Reaxy-Rn: 154579
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=154579&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Benzopyrans
      • Subclass 1-benzopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Not available
• Direct Parent: Chromones
• Alternative Parents: Pyranones and derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Heteroaromatic compounds Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chromone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Vinylogous acid - Oxacycle - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as chromones. These are compounds containing a benzopyran-4-one moiety.
• External Descriptors: chromones

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: insoluble in H2O; ≥5.41 mg/mL in EtOH with gentle warming; ≥7.05 mg/mL in DMSO
• 感度: Light sensitive
• 分子量: 178.140 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 178.027 Da
• Monoisotopic Mass: 178.027 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 248.000
• 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

参考文献

1. Wang Baolin, Wang Qinqin, Yuan Renyikun, Yang Shilin, Lu Meilin, Yuan Fuhong, Dong Zhidan, Mo Menghuan, Pan Qiming, Gao Hongwei.  (2023)  Prenylated chromones and flavonoids isolated from the roots of Flemingia macrophylla and their anti-lung cancer activity.  Chinese Medicine,  18  (1): (1-14).  [PMID:37996917] [10.1186/s13020-023-00860-3]