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CHEBI:66506 - zinolol

Default Structure
ChEBI IDCHEBI:66506
ChEBI Namezinolol
Stars
DefinitionA monosaccharide derivative that is 1,4-dihydroxybenzene substituted by a (methylamino)methyl group at position 6 and a β-D-glucopyranosyloxy residue at position 2. Isolated from Anagallis monelli, it exhibits antimutagenic and antioxidant activities.
Last Modified12 July 2013
DownloadsMolfile
FormulaC14H21NO8
Net Charge0
Average Mass331.321
Monoisotopic Mass331.12672
SMILESCNCc1cc(O)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O
InChIInChI=1S/C14H21NO8/c1-15-4-6-2-7(17)3-8(10(6)18)22-14-13(21)12(20)11(19)9(5-16)23-14/h2-3,9,11-21H,4-5H2,1H3/t9-,11-,12+,13-,14-/m1/s1
InChIKeyXDRANPRXTFIDRB-RGCYKPLRSA-N
Species of MetaboliteComponentSourceComments
Anagallis monelli (ncbitaxon:306291) aerial part (BTO:0001658) PubMed (17329877)
Roles Classification
Chemical Roles:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
antimutagen  An agent that reduces or interferes with the mutagenic actions or effects of a substance.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
zinolol (CHEBI:66506) has role antimutagen (CHEBI:73190)
zinolol (CHEBI:66506) has role antioxidant (CHEBI:22586)
zinolol (CHEBI:66506) has role metabolite (CHEBI:25212)
zinolol (CHEBI:66506) is a hydroquinones (CHEBI:24646)
zinolol (CHEBI:66506) is a monosaccharide derivative (CHEBI:63367)
zinolol (CHEBI:66506) is a secondary amino compound (CHEBI:50995)
zinolol (CHEBI:66506) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
2,5-dihydroxy-3-[(methylamino)methyl]phenyl β-D-glucopyranoside
Synonym  Source
2-(O-β-D-glucopyranosyl)-6-(N-methylaminomethyl)-1,4-dihydroxybenzeneChEBI
Registry NumbersSources
Reaxys:11028017Reaxys
Citations