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CHEBI:65767 - dichotomoside D

ChEBI IDCHEBI:65767
ChEBI Namedichotomoside D
Stars
DefinitionA neolignan that is dibutyl 3,3'-biphenyl-3,3'-diyldipropanoate substituted by a β-D-glucopyranosyloxy group at position 6, hydroxy group at position 6' and methoxy groups at positions 5 and 5' respectively. Isolated from the roots of Stellaria dichotoma var lanceolata, it exhibits anti-allergic activity.
Last Modified7 April 2017
DownloadsMolfile
FormulaC34H48O13
Net Charge0
Average Mass664.745
Monoisotopic Mass664.30949
SMILESCCCCOC(=O)CCc1cc(OC)c(O)c(-c2cc(CCC(=O)OCCCC)cc(OC)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1
InChIInChI=1S/C34H48O13/c1-5-7-13-44-27(36)11-9-20-15-22(29(38)24(17-20)42-3)23-16-21(10-12-28(37)45-14-8-6-2)18-25(43-4)33(23)47-34-32(41)31(40)30(39)26(19-35)46-34/h15-18,26,30-32,34-35,38-41H,5-14,19H2,1-4H3/t26-,30-,31+,32-,34+/m1/s1
InChIKeyVMLJWIKVMRPCIF-GVQAODHLSA-N
Species of MetaboliteComponentSourceComments
Stellaria dichotoma var. lanceolata (IPNI:50920984-1) root (BTO:0001188) PubMed (15467234)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
anti-allergic agent  A drug used to treat allergic reactions.
ChEBI Ontology
Outgoing Relation(s)
dichotomoside D (CHEBI:65767) has role anti-allergic agent (CHEBI:50857)
dichotomoside D (CHEBI:65767) has role plant metabolite (CHEBI:76924)
dichotomoside D (CHEBI:65767) is a biphenyls (CHEBI:22888)
dichotomoside D (CHEBI:65767) is a carboxylic ester (CHEBI:33308)
dichotomoside D (CHEBI:65767) is a guaiacols (CHEBI:134251)
dichotomoside D (CHEBI:65767) is a neolignan (CHEBI:25497)
dichotomoside D (CHEBI:65767) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
dibutyl 3,3'-[6-(β-D-glucopyranosyloxy)-6'-hydroxy-5,5'-dimethoxybiphenyl-3,3'-diyl]dipropanoate
Registry NumbersSources
Reaxys:9891311Reaxys
Citations