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CHEBI:66537 - swertifrancheside

Default Structure
ChEBI IDCHEBI:66537
ChEBI Nameswertifrancheside
Stars
DefinitionA ring assembly that is a dimer obtained by coupling between 1,5,8-trihydroxy-3-methoxy-9H-xanthen-9-one and C-glycosylated 5,7,3',4'-tetrahydroxyflavone. Isolated from Swertia franchetiana, it exhibits anti-HIV activity.
Last Modified9 July 2013
DownloadsMolfile
FormulaC35H28O17
Net Charge0
Average Mass720.592
Monoisotopic Mass720.13265
SMILESCOc1cc(O)c2c(=O)c3c(O)c(-c4c(O)c([C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c(O)c5c(=O)cc(-c6ccc(O)c(O)c6)oc45)cc(O)c3oc2c1
InChIInChI=1S/C35H28O17/c1-49-11-5-15(39)22-19(6-11)51-33-17(41)7-12(26(42)24(33)29(22)45)21-28(44)25(35-32(48)31(47)27(43)20(9-36)52-35)30(46)23-16(40)8-18(50-34(21)23)10-2-3-13(37)14(38)4-10/h2-8,20,27,31-32,35-39,41-44,46-48H,9H2,1H3/t20-,27-,31+,32-,35+/m1/s1
InChIKeyJAANJQNFIJSRTK-KYRPIRIWSA-N
Species of MetaboliteComponentSourceComments
Swertia franchetiana (ncbitaxon:50785) - PubMed (7513747)
Roles Classification
Biological Roles:
EC 6.5.1.1 [DNA ligase (ATP)] inhibitor  An EC 6.5.1.* (DNA/RNA repair enzymes) inhibitor that interferes with the action of DNA ligase (ATP), EC 6.5.1.1.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
HIV-1 reverse transcriptase inhibitor  An entity which inhibits the activity of HIV-1 reverse transcriptase.
ChEBI Ontology
Outgoing Relation(s)
swertifrancheside (CHEBI:66537) has role EC 6.5.1.1 [DNA ligase (ATP)] inhibitor (CHEBI:64920)
swertifrancheside (CHEBI:66537) has role HIV-1 reverse transcriptase inhibitor (CHEBI:53756)
swertifrancheside (CHEBI:66537) has role metabolite (CHEBI:25212)
swertifrancheside (CHEBI:66537) is a C-glycosyl compound (CHEBI:20857)
swertifrancheside (CHEBI:66537) is a biaryl (CHEBI:64459)
swertifrancheside (CHEBI:66537) is a tetrahydroxyflavone (CHEBI:38684)
swertifrancheside (CHEBI:66537) is a xanthones (CHEBI:51149)
IUPAC Name 
(1S)-1,5-anhydro-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-8-(1,4,8-trihydroxy-6-methoxy-9-oxo-9H-xanthen-2-yl)-4H-chromen-6-yl]-D-glucitol
Synonym  Source
1,5,8-trihydroxy-3-methoxy-7-(5',7',3'',4''-tetrahydroxy-6'-C-β-D-glucopyranosyl-4'-oxy-8'-flavyl)xanthoneChEBI
Registry NumbersSources
CAS:155740-03-7ChemIDplus
Citations