CHEBI:65598 - cassiaside C2

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ChEBI Name cassiaside C2
ChEBI ID CHEBI:65598
Definition An organic heterotricyclic compound that is 9,10-dihydroxy-7-methoxy-3-methyl-1H-benzo[g]isochromen-1-one attached to a tetrasaccharide residue at position 9 via a glycosidic linkage. Isolated from Cassia obtusifolia, it exhibits anti-allergic activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C39H52O25
Net Charge 0
Average Mass 920.81520
Monoisotopic Mass 920.27977
InChI InChI=1S/C39H52O25/c1-11-3-12-4-13-5-14(55-2)6-15(20(13)26(46)21(12)35(54)58-11)59-38-31(51)28(48)23(43)18(62-38)10-57-37-33(53)34(25(45)17(8-41)61-37)64-39-32(52)29(49)24(44)19(63-39)9-56-36-30(50)27(47)22(42)16(7-40)60-36/h3-6,16-19,22-25,27-34,36-53H,7-10H2,1-2H3/t16-,17-,18-,19-,22-,23-,24-,25-,27+,28+,29+,30-,31-,32-,33-,34+,36-,37-,38-,39+/m1/s1
InChIKey VHWFKCUSOFJPLV-XVRRVUIKSA-N
SMILES [H][C@]1(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](CO)O[C@@H](OC[C@H]2O[C@@H](Oc3cc(OC)cc4cc5cc(C)oc(=O)c5c(O)c34)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O
Metabolite of Species Details
Cassia obtusifolia (NCBI:txidtxid346985) Found in seed (BTO:0001226). See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
histamine antagonist
Histamine antagonists are the drugs that bind to but do not activate histamine receptors, thereby blocking the actions of histamine or histamine agonists.
Application(s): histamine antagonist
Histamine antagonists are the drugs that bind to but do not activate histamine receptors, thereby blocking the actions of histamine or histamine agonists.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing cassiaside C2 (CHEBI:65598) has role histamine antagonist (CHEBI:37956)
cassiaside C2 (CHEBI:65598) has role metabolite (CHEBI:25212)
cassiaside C2 (CHEBI:65598) is a δ-lactone (CHEBI:18946)
cassiaside C2 (CHEBI:65598) is a aromatic ether (CHEBI:35618)
cassiaside C2 (CHEBI:65598) is a isochromenes (CHEBI:38761)
cassiaside C2 (CHEBI:65598) is a organic heterotricyclic compound (CHEBI:26979)
cassiaside C2 (CHEBI:65598) is a phenols (CHEBI:33853)
cassiaside C2 (CHEBI:65598) is a tetrasaccharide derivative (CHEBI:63567)
IUPAC Name
10-hydroxy-7-methoxy-3-methyl-1-oxo-1H-benzo[g]isochromen-9-yl β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl-(1→3)-β-D-glucopyranosyl-(1→6)-β-D-glucopyranoside
Synonym Source
toralactone 9-O-β-D-glucopyranosyl-(1→6)-O-β-D-glucopyranosyl- (1→3)-O-β-D-glucopyranosyl-(1→6)-O-β-D-glucopyranoside ChEBI
Registry Number Type Source
8251276 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
9810700 PubMed citation Europe PMC
Last Modified
29 July 2013