5,7-Dihydroxychromone - ≥98% , CAS No.31721-94-5

CAS: 31721-94-5 Cat. No.: D420023 Molecular Weight: 178.14

GRADE & PURITY ≥98%

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

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

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 |

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

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

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

ACTIVATOR

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504763350
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763350
• Canonical Smiles: 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
• Isomeric SMILES: C1=COC2=CC(=CC(=C2C1=O)O)O
• Molecular Weight: 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
    • Class Benzopyrans
      • Subclass 1-benzopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: insoluble in H2O; ≥5.41 mg/mL in EtOH with gentle warming; ≥7.05 mg/mL in DMSO
• Sensitivity: Light sensitive
• Molecular Weight: 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

References

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]