CHEBI:65767 - dichotomoside D

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ChEBI Name dichotomoside D
ChEBI ID CHEBI:65767
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C34H48O13
Net Charge 0
Average Mass 664.73710
Monoisotopic Mass 664.30949
InChI InChI=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
InChIKey VMLJWIKVMRPCIF-GVQAODHLSA-N
SMILES CCCCOC(=O)CCc1cc(OC)c(O)c(c1)-c1cc(CCC(=O)OCCCC)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Metabolite of Species Details
Stellaria dichotoma var. lanceolata (IPNI:50920984-1) Found in root (BTO:0001188). See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application(s): anti-allergic agent
A drug used to treat allergic reactions.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 β-D-glucoside (CHEBI:22798)
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)
IUPAC Name
dibutyl 3,3'-[6-(β-D-glucopyranosyloxy)-6'-hydroxy-5,5'-dimethoxybiphenyl-3,3'-diyl]dipropanoate
Registry Number Type Source
9891311 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
15467234 PubMed citation Europe PMC
Last Modified
07 April 2017