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4'-O-demethylknipholone-4'-O-beta-D-glucopyranoside

Go to external page http://purl.obolibrary.org/obo/CHEBI_65741

An anthraquinone that is knipholone in which the O-methyl group is replaced by a beta-D-glucopyranosyl group. It is isolated from the roots of Bulbine frutescens and exhibits trypanocidal and antiplasmodial activities.

Term info

Label

4'-O-demethylknipholone-4'-O-beta-D-glucopyranoside

Synonyms
  • 2-acetyl-4-(4,5-dihydroxy-2-methyl-9,10-dioxo-9,10-dihydroanthracen-1-yl)-3,5-dihydroxyphenyl beta-D-glucopyranoside
database cross reference
Subsets

3_STAR

IUPAC NAME
2-acetyl-4-(4,5-dihydroxy-2-methyl-9,10-dioxo-9,10-dihydroanthracen-1-yl)-3,5-dihydroxyphenyl beta-D-glucopyranoside [ IUPAC ]

charge

0

formula

C29H26O13

has obo namespace

chebi_ontology

id

CHEBI:65741

inchi

InChI=1S/C29H26O13/c1-9-6-13(33)21-22(23(35)11-4-3-5-12(32)19(11)26(21)38)17(9)20-14(34)7-15(18(10(2)31)25(20)37)41-29-28(40)27(39)24(36)16(8-30)42-29/h3-7,16,24,27-30,32-34,36-37,39-40H,8H2,1-2H3/t16-,24-,27+,28-,29-/m1/s1

inchikey

AOJYFODHRHWWEN-GQUXZSRASA-N

mass

582.510

monoisotopicmass

582.13734

smiles

O([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2=CC(=C(C=3C4=C(C(=O)C5=C(C=CC=C5C4=O)O)C(=CC3C)O)C(=C2C(=O)C)O)O