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Bergaptol

Bergaptol structure

Bergaptol 

structure
  • CAS No:

    486-60-2

  • Formula:

    C11H6O4

  • Chemical Name:

    Bergaptol

  • Synonyms:

    7H-Furo[3,2-g][1]benzopyran-7-one,4-hydroxy-;Bergaptol;4-Hydroxy-7H-furo[3,2-g][1]benzopyran-7-one;5-Hydroxypsoralen;5-Hydroxy-6,7-furanocoumarin;4-Hydroxybergapten;NSC 341958

  • Categories:

    Natural Products  >  Coumarin and Derivatives

Description

BergaptolA hydroxylated psoralen that acts as a potent inhibitors of debenzylation activity of CYP3A4 enzyme with an IC50 value of 24.92 uM. Recent studies suggest that it may have antiproliferative and anticancer properties.target: CYP3A4 [1]IC50: 24.92 [1]For in vivo enzyme activity analysis, 100 μM bergaptol was added to the cultures for an additional 24 h at 37°C. After centrifugation, the supernatant was used to measure the bergapten yield by high performance liquid chromatography (


Solid


Bergaptol is a member of psoralens and a 5-hydroxyfurocoumarin. It is a conjugate acid of a bergaptol(1-).

Bergaptol Basic Attributes

202.16

202.16

KTC8ANI30F

341958

DTXSID40197564

Characteristics

59.7

2

Solid

1.5±0.1 g/cm3

275-278 °C

142.4±19.3 °C

1.711

2-8°C

Safety Information

NONH for all modes of transport

3

22-36

22-24/25-26

Xn

P305 + P351 + P338

H302-H319

Drug Information

4-Hydroxy-7H-furo(3,2-g)chromen-7-one

Bergaptol Use and Manufacturing

A hydroxylated psoralen that acts as a potent inhibitors of debenzylation activity of CYP3A4 enzyme with an IC50 value of 24.92 and 42.93 μM, respectively. Recent studies suggest that it may have antiproliferative and anticancer properties.

Computed Properties

Molecular Weight:202.16
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:202.02660867
Monoisotopic Mass:202.02660867
Topological Polar Surface Area:59.7
Heavy Atom Count:15
Complexity:312
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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