EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:67403 - 6'-desmethylcandidusin B

ChEBI IDCHEBI:67403
ChEBI Name6'-desmethylcandidusin B
Stars
DefinitionA member of the class of dibenzofurans that is dibenzo[b,d]furan substituted by a 3,4-dihydroxyphenyl 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
FormulaC19H14O7
Net Charge0
Average Mass354.314
Monoisotopic Mass354.07395
SMILESCOc1c(-c2ccc(O)c(O)c2)cc(O)c2c1oc1cc(O)c(O)cc12
InChIInChI=1S/C19H14O7/c1-25-18-9(8-2-3-11(20)12(21)4-8)5-15(24)17-10-6-13(22)14(23)7-16(10)26-19(17)18/h2-7,20-24H,1H3
InChIKeyWWDZIQMPRWVASF-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)
6'-desmethylcandidusin B (CHEBI:67403) has role Penicillium metabolite (CHEBI:76964)
6'-desmethylcandidusin B (CHEBI:67403) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462)
6'-desmethylcandidusin B (CHEBI:67403) is a aromatic ether (CHEBI:35618)
6'-desmethylcandidusin B (CHEBI:67403) is a dibenzofurans (CHEBI:38922)
6'-desmethylcandidusin B (CHEBI:67403) is a polyphenol (CHEBI:26195)
IUPAC Name 
3-(3,4-dihydroxyphenyl)-4-methoxydibenzo[b,d]furan-1,7,8-triol
Registry NumbersSources
Reaxys:8084116Reaxys
Citations