Isoscutellarein

Isoscutellarein is a flavone found in Cupuaçu (Theobroma grandiflorum)[1] and in the liverwort Marchantia berteroana.[2]

Isoscutellarein

Names
IUPAC name 5,7,8-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Other names 8-Hydroxyapigenin 4′,5,7,8-Tetrahydroxyflavone
Identifiers
CAS Number	41440-05-5
3D model (JSmol)	Interactive image
ChemSpider	4444984
PubChem CID	5281665
CompTox Dashboard (EPA)	DTXSID20415172
InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)12-6-10(18)13-9(17)5-11(19)14(20)15(13)21-12/h1-6,16-17,19-20H Key: NXHQVROAKYDSNW-UHFFFAOYSA-N InChI=1/C15H10O6/c16-8-3-1-7(2-4-8)12-6-10(18)13-9(17)5-11(19)14(20)15(13)21-12/h1-6,16-17,19-20H Key: NXHQVROAKYDSNW-UHFFFAOYAQ
SMILES C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)O)O
Properties
Chemical formula	C15H10O6
Molar mass	286.23 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references

Theograndin I is a sulfated glucuronide of isoscutellarein.

References

1. Yang, H; Protiva, P; Cui, B; Ma, C; Baggett, S; Hequet, V; Mori, S; Weinstein, IB; Kennelly, EJ (2003). "New bioactive polyphenols from Theobroma grandiflorum ("cupuaçu")". Journal of Natural Products. 66 (11): 1501–4. doi:10.1021/np034002j. PMID 14640528.
2. Markham, Kenneth R.; Porter, Lawrence J. (1975). "Isoscutellarein and hypolaetin 8-glucuronides from the liverwort Marchantia berteroana". Phytochemistry. 14 (4): 1093–1097. doi:10.1016/0031-9422(75)85194-6.