CAS 117038-82-1

3-(2,4-Dihydroxyphenyl)-7,8-dihydro-5-methoxy-8,8-dimethyl-2H,6H-benzo[1,2-b:5,4-b′]dipyran-2-one

Description:

3-(2,4-Dihydroxyphenyl)-7,8-dihydro-5-methoxy-8,8-dimethyl-2H,6H-benzo[1,2-b:5,4-b′]dipyran-2-one, with CAS number 117038-82-1, is a complex organic compound characterized by its polycyclic structure, which includes a benzo-dipyran moiety. This compound features multiple functional groups, including hydroxyl (-OH) and methoxy (-OCH3) groups, contributing to its potential biological activity and solubility properties. The presence of the dihydroxyphenyl group suggests possible antioxidant properties, while the methoxy group may enhance lipophilicity. Its unique structural arrangement may influence its reactivity and interactions with biological systems, making it of interest in medicinal chemistry and pharmacology. The compound's stability, solubility, and reactivity can vary based on environmental conditions, such as pH and temperature. Overall, this substance may exhibit significant potential for further research in therapeutic applications, particularly in the fields of cancer research and natural product chemistry, due to its intricate structure and functional diversity.

Formula: C₂₁H₂₀O₆

InChI: InChI=1S/C21H20O6/c1-21(2)7-6-13-18(27-21)10-17-15(19(13)25-3)9-14(20(24)26-17)12-5-4-11(22)8-16(12)23/h4-5,8-10,22-23H,6-7H2,1-3H3

InChI key: InChIKey=PHHAXWBLJNBVNS-UHFFFAOYSA-N

SMILES: O(C)C=1C2=C(C=C3C1CCC(C)(C)O3)OC(=O)C(=C2)C4=C(O)C=C(O)C=C4

Synonyms:

• 3-(2,4-Dihydroxyphenyl)-7,8-dihydro-5-methoxy-8,8-dimethyl-2H,6H-benzo[1,2-b:5,4-b′]dipyran-2-one
• Isoglycycoumarin
• 2H,6H-Benzo[1,2-b:5,4-b′]dipyran-2-one, 3-(2,4-dihydroxyphenyl)-7,8-dihydro-5-methoxy-8,8-dimethyl-

Isoglycycoumarin

CAS: 117038-82-1

Isoglycycoumarin, a flavonoid derived from the roots of Glycyrrhiza uralensis, serves as a highly selective probe for human cytochrome P450 2A6.

Formula: C₂₁H₂₀O₆

Purity: 98%

Color and Shape: Solid

Molecular weight: 368.38

Ref: TM-T11683