CHEBI:67875 - pedunculosumoside C

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ChEBI Name pedunculosumoside C
ChEBI ID CHEBI:67875
Definition A homoflavonoid glycoside that is 5ʼ-prenylophioglonol attached to 2-O-β-D-glucopyranosyl-β-D-glucopyranosyl residue at position 7 via glycosidic linkage. It has been isolated from the whole plant of Ophioglossum pedunculosum and exhibits anti-HBV activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C33H40O17
Net Charge 0
Average Mass 708.66050
Monoisotopic Mass 708.22655
InChI InChI=1S/C33H40O17/c1-12(2)3-4-13-5-14(6-18(38)23(13)39)30-16(9-34)24(40)22-17(37)7-15(8-19(22)47-30)46-33-31(28(44)26(42)21(11-36)49-33)50-32-29(45)27(43)25(41)20(10-35)48-32/h3,5-8,20-21,25-29,31-39,41-45H,4,9-11H2,1-2H3/t20-,21-,25-,26-,27+,28+,29-,31-,32+,33-/m1/s1
InChIKey ZDGISMQFYIDRSP-KZGGGLRYSA-N
SMILES CC(C)=CCc1cc(cc(O)c1O)-c1oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c2c(=O)c1CO
Metabolite of Species Details
Ophioglossum pedunculosum (NCBI:txid60874) Found in whole plant (BTO:0001461). 75% EtOH extract of dried whole plant See: PubMed
Roles Classification
Biological Role(s): anti-HBV agent
An antiviral agent that destroys or inhibits the replication of the hepatitis B virus.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing pedunculosumoside C (CHEBI:67875) has functional parent ophioglonol (CHEBI:67934)
pedunculosumoside C (CHEBI:67875) has role anti-HBV agent (CHEBI:64951)
pedunculosumoside C (CHEBI:67875) has role plant metabolite (CHEBI:76924)
pedunculosumoside C (CHEBI:67875) is a β-D-glucoside (CHEBI:22798)
pedunculosumoside C (CHEBI:67875) is a disaccharide derivative (CHEBI:63353)
pedunculosumoside C (CHEBI:67875) is a homoflavonoid glycoside (CHEBI:76404)
pedunculosumoside C (CHEBI:67875) is a hydroxy homoflavonoid (CHEBI:76405)
IUPAC Name
2-[3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-5-hydroxy-3-(hydroxymethyl)-4-oxo-4H-chromen-7-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside
Synonym Source
5ʼ-(3-methyl-2-buten-1-yl)ophioglonol 7-O-β-D-glucopyranosyl-(1→2)-β-D-glucopyranoside ChEBI
Registry Number Type Source
21523326 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21401115 PubMed citation Europe PMC
Last Modified
09 January 2014