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CHEBI:67530 - prenylcandidusin A

ChEBI IDCHEBI:67530
ChEBI Nameprenylcandidusin A
Stars
DefinitionA member of the class of dibenzofurans that is candidusin A substituted by a prenyl group at position 3 of the phenyl ring substituent. It has been isolated from Aspergillus taichungensis.
Last Modified13 January 2014
DownloadsMolfile
FormulaC25H24O6
Net Charge0
Average Mass420.461
Monoisotopic Mass420.15729
SMILESCOc1c(-c2ccc(O)c(CC=C(C)C)c2)cc(OC)c2c1oc1cc(O)c(O)cc12
InChIInChI=1S/C25H24O6/c1-13(2)5-6-15-9-14(7-8-18(15)26)16-11-22(29-3)23-17-10-19(27)20(28)12-21(17)31-25(23)24(16)30-4/h5,7-12,26-28H,6H2,1-4H3
InChIKeyBNLTUQWJGCSQHG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus taichungensis (ncbitaxon:482145) mycelium (BTO:0001436) PubMed (21486068) EtOAc extract of fungal strain was isolated from root soil of Acrostichum aureum (mangrove plant) Strain: ZHN 7-07
Roles Classification
Biological Role:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
prenylcandidusin A (CHEBI:67530) has functional parent candidusin A (CHEBI:67539)
prenylcandidusin A (CHEBI:67530) has role Aspergillus metabolite (CHEBI:76956)
prenylcandidusin A (CHEBI:67530) has role antineoplastic agent (CHEBI:35610)
prenylcandidusin A (CHEBI:67530) is a aromatic ether (CHEBI:35618)
prenylcandidusin A (CHEBI:67530) is a catechols (CHEBI:33566)
prenylcandidusin A (CHEBI:67530) is a dibenzofurans (CHEBI:38922)
IUPAC Name 
7-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-6,9-dimethoxydibenzo[b,d]furan-2,3-diol
Registry NumbersSources
Reaxys:21577516Reaxys
Citations