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CHEBI:66537 - swertifrancheside

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:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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.
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