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CHEBI:67402 - 3''-deoxy-6'-O-desmethylcandidusin B

ChEBI IDCHEBI:67402
ChEBI Name3''-deoxy-6'-O-desmethylcandidusin B
Stars
ASCII Name3''-deoxy-6'-O-desmethylcandidusin B
DefinitionA member of the class of dibenzofurans that is dibenzo[b,d]furan substituted by a 4-hydroxyphenyl group at position 3, hydroxy groups at positions 1, 7 and 8 and a methoxy group at position 4. It has been isolated from the culture of the mangrove endophytic fungus Penicillium chermesinum.
Last Modified13 January 2014
DownloadsMolfile
FormulaC19H14O6
Net Charge0
Average Mass338.315
Monoisotopic Mass338.07904
SMILESCOc1c(-c2ccc(O)cc2)cc(O)c2c1oc1cc(O)c(O)cc12
InChIInChI=1S/C19H14O6/c1-24-18-11(9-2-4-10(20)5-3-9)6-15(23)17-12-7-13(21)14(22)8-16(12)25-19(17)18/h2-8,20-23H,1H3
InChIKeyPLXYXSNSJXMTSA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Penicillium chermesinum (ncbitaxon:63820) - PubMed (21510637) Ethylacetate extract of endophytic fungus isolated from stem of the mangrove plant Kandelia candel Strain: ZH4 E2
Roles Classification
Biological Roles:
Penicillium metabolite  Any fungal metabolite produced during a metabolic reaction in Penicillium.
EC 3.1.1.7 (acetylcholinesterase) inhibitor  An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of enzyme acetylcholinesterase (EC 3.1.1.7), which helps breaking down of acetylcholine into choline and acetic acid.
ChEBI Ontology
Outgoing Relation(s)
3''-deoxy-6'-O-desmethylcandidusin B (CHEBI:67402) has role Penicillium metabolite (CHEBI:76964)
3''-deoxy-6'-O-desmethylcandidusin B (CHEBI:67402) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462)
3''-deoxy-6'-O-desmethylcandidusin B (CHEBI:67402) is a aromatic ether (CHEBI:35618)
3''-deoxy-6'-O-desmethylcandidusin B (CHEBI:67402) is a dibenzofurans (CHEBI:38922)
3''-deoxy-6'-O-desmethylcandidusin B (CHEBI:67402) is a polyphenol (CHEBI:26195)
Registry NumbersSources
Reaxys:21548623Reaxys
Citations