Combretol

Combretol

Names
IUPAC name 5-Hydroxy-3,3′,4′,5′,7-pentamethoxyflavone
Preferred IUPAC name 5-Hydroxy-3,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one
Other names 3,7,3',4',5'-pentamethylmyricetin
Identifiers
CAS Number	5084-19-5[1]
3D model (JSmol)	Interactive image
ChEBI	CHEBI:70005
ChEMBL	ChEMBL518300
ChemSpider	21131195^N
PubChem CID	12303802
UNII	2G3ZF4VTE5^Y
CompTox Dashboard (EPA)	DTXSID601029316
InChI InChI=1S/C20H20O8/c1-23-11-8-12(21)16-13(9-11)28-18(20(27-5)17(16)22)10-6-14(24-2)19(26-4)15(7-10)25-3/h6-9,21H,1-5H3^N Key: SUNUQCQIFHHEOW-UHFFFAOYSA-N^N InChI=1/C20H20O8/c1-23-11-8-12(21)16-13(9-11)28-18(20(27-5)17(16)22)10-6-14(24-2)19(26-4)15(7-10)25-3/h6-9,21H,1-5H3 Key: SUNUQCQIFHHEOW-UHFFFAOYAT
SMILES COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C(=C3)OC)OC)OC)O
Properties
Chemical formula	C20H20O8
Molar mass	388.36 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). N verify (what is ^YN ?) Infobox references

Combretol is an O-methylated flavonol, a type of flavonoid. It is the 3,7,3',4',5'-O-methylation of myricetin and can be extracted from Combretum quadrangulare^[2] and from Rhodomyrtus tomentosa.^[3]

References

1. "KNApSAcK Metabolite Information - C00004777". www.knapsackfamily.com.
2. Combretol from Combretum quadrangulare. Stang Mongkolsuk, F. M. Dean and L. E. Houghton, J. Chem. Soc. C, 1966, page 125, doi:10.1039/J39660000125
3. 5-Hydroxy-3,3',4',5',7-pentamethoxyflavone (combretol). Dachriyanus, R. Fahmi, M. V. Sargent, B. W. Skelton and A. H. White, Acta Crystallogr. (2004). E60, o86-o88