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CHEBI:67531 - prenylcandidusin B

ChEBI IDCHEBI:67531
ChEBI Nameprenylcandidusin B
Stars
DefinitionA member of the class of dibenzofurans that is 1,4,7,8-tetramethoxydibenzo[b,d]furan substituted by a 4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl substituent at position 3. It has been isolated from Aspergillus taichungensis.
Last Modified13 January 2014
DownloadsMolfile
FormulaC27H28O6
Net Charge0
Average Mass448.515
Monoisotopic Mass448.18859
SMILESCOc1cc2oc3c(OC)c(-c4ccc(O)c(CC=C(C)C)c4)cc(OC)c3c2cc1OC
InChIInChI=1S/C27H28O6/c1-15(2)7-8-17-11-16(9-10-20(17)28)18-12-24(31-5)25-19-13-22(29-3)23(30-4)14-21(19)33-27(25)26(18)32-6/h7,9-14,28H,8H2,1-6H3
InChIKeyJIAZRMIMWOXXHE-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 B (CHEBI:67531) has role Aspergillus metabolite (CHEBI:76956)
prenylcandidusin B (CHEBI:67531) has role antineoplastic agent (CHEBI:35610)
prenylcandidusin B (CHEBI:67531) is a aromatic ether (CHEBI:35618)
prenylcandidusin B (CHEBI:67531) is a dibenzofurans (CHEBI:38922)
prenylcandidusin B (CHEBI:67531) is a phenols (CHEBI:33853)
IUPAC Name 
2-(3-methylbut-2-en-1-yl)-4-(1,4,7,8-tetramethoxydibenzo[b,d]furan-3-yl)phenol
Registry NumbersSources
Reaxys:21577514Reaxys
Citations