Chemistry:Annulatin

Annulatin

Names
IUPAC name 3′,4′,5,5′,7-Pentahydroxy-3-methoxyflavone
Systematic IUPAC name 5,7-Dihydroxy-3-methoxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one
Other names Myricetin 3-Methylether
Identifiers
CAS Number	1486-67-5 Y
3D model (JSmol)	Interactive image
ChemSpider	24227213 Y
PubChem CID	44259709
UNII	E49FR3626E Y
InChI InChI=1S/C16H12O8/c1-23-16-14(22)12-8(18)4-7(17)5-11(12)24-15(16)6-2-9(19)13(21)10(20)3-6/h2-5,17-21H,1H3 Y Key: XWTLYULBWZQAAZ-UHFFFAOYSA-N Y InChI=1/C16H12O8/c1-23-16-14(22)12-8(18)4-7(17)5-11(12)24-15(16)6-2-9(19)13(21)10(20)3-6/h2-5,17-21H,1H3 Key: XWTLYULBWZQAAZ-UHFFFAOYAS
SMILES COc1c(=O)c2c(cc(cc2oc1c3cc(c(c(c3)O)O)O)O)O
Properties
Chemical formula	C16H12O8
Molar mass	332.25 g/mol
Density	1.807 g/mL
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Infobox references

Tracking categories (test):

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Annulatin is an O-methylated flavonol found in the roots of Pteroxygonum giraldii.