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5,7-Dihydroxyisoflavone

5,7-Dihydroxyisoflavone structure

CAS No:
4044-00-2
Formula:
C15H10O4
Chemical Name:
5,7-Dihydroxyisoflavone
Synonyms:
4H-1-Benzopyran-4-one,5,7-dihydroxy-3-phenyl-;Isoflavone,5,7-dihydroxy-;5,7-Dihydroxy-3-phenyl-4H-1-benzopyran-4-one;5,7-Dihydroxyisoflavone
Categories:
Organic Chemistry > Amides

Description

Solid

5,7-Dihydroxyisoflavone is a member of isoflavones.|A non-steroidal anti-inflammatory agent with analgesic, anti-inflammatory, and antipyretic properties. It is an inhibitor of cyclooxygenase.

5,7-Dihydroxyisoflavone Basic Attributes

Molecular Weight：

254.241

Exact Mass：

254.24

DSSTox ID：

DTXSID80418801

Characteristics

PSA：

66.8

XLogP3：

Appearance：

Solid

Melting Point：

205 °C

Collision Cross Section：

152.3 Å² [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

Drug Information

MeSH：

Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions.They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects. (See all compounds classified as Anti-Inflammatory Agents, Non-Steroidal.)|Compounds or agents that combine with cyclooxygenase (PROSTAGLANDIN-ENDOPEROXIDE SYNTHASES) and thereby prevent its substrate-enzyme combination with arachidonic acid and the formation of eicosanoids, prostaglandins, and thromboxanes. (See all compounds classified as Cyclooxygenase Inhibitors.)

MeSH Entry Terms：

Acid, Mefenamic

5,7-Dihydroxyisoflavone Use and Manufacturing

Use Classification：

Polyketides [PK] -> Flavonoids [PK12] -> Isoflavonoids [PK1205]

Computed Properties

Molecular Weight:254.24
XLogP3:3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:254.05790880
Monoisotopic Mass:254.05790880
Topological Polar Surface Area:66.8
Heavy Atom Count:19
Complexity:384
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes