EPOXYBERGAMOTTIN Chemical Properties

Melting point:

69-70 °C

Boiling point:

517.8±50.0 °C(Predicted)

Density 

1.210

storage temp. 

-20°C

solubility 

DMF: 30 mg/ml; DMSO: 30 mg/ml; DMSO:PBS (pH 7.2) (1:1): 0.50 mg/ml; Ethanol: 10 mg/ml

form 

powder

color 

White to off-white

BRN 

7827230

InChI

1S/C21H22O5/c1-13(4-6-18-21(2,3)26-18)8-10-24-20-14-5-7-19(22)25-17(14)12-16-15(20)9-11-23-16/h5,7-9,11-12,18H,4,6,10H2,1-3H3/b13-8+

InChIKey

OOKSPQLCQUBEKU-MDWZMJQESA-N

SMILES

O=C(O1)C=CC2=C1C=C(OC=C3)C3=C2OC/C=C(C)/CCC4C(C)(C)O4

Safety Information

WGK Germany 

3

Storage Class

11 - Combustible Solids

EPOXYBERGAMOTTIN Usage And Synthesis

Uses

6',7'-Epoxybergamottin is a metabolism of Penicillium digitatum. 6',7'-Epoxybergamottin can be used in study the cytochrome P450 3A4 inhibitory activity[1].

Definition

ChEBI: Epoxybergamottin is a member of psoralens.

References

[1] Myung K, et al. Biotransformations of 6',7'-dihydroxybergamottin and 6',7'-epoxybergamottin by the citrus-pathogenic fungi diminish cytochrome P450 3A4 inhibitory activity. Bioorg Med Chem Lett. 2012 Mar 15;22(6):2279-82. DOI:10.1016/j.bmcl.2012.01.081