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CHEBI:67527 - prenylterphenyllin B

ChEBI IDCHEBI:67527
ChEBI Nameprenylterphenyllin B
Stars
DefinitionA para-terphenyl that is 1,1':4',1''-terphenyl substituted by methoxy groups at positions 3' and 6', a prenyl group at position 3'' and hydroxy groups at positions 2', 4 and 4''. Isolated from the fungus, Aspergillus taichungensis, it exhibits cytotoxic activity.
Last Modified13 January 2014
DownloadsMolfile
FormulaC25H26O5
Net Charge0
Average Mass406.478
Monoisotopic Mass406.17802
SMILESCOc1cc(-c2ccc(O)c(CC=C(C)C)c2)c(OC)c(O)c1-c1ccc(O)cc1
InChIInChI=1S/C25H26O5/c1-15(2)5-6-18-13-17(9-12-21(18)27)20-14-22(29-3)23(24(28)25(20)30-4)16-7-10-19(26)11-8-16/h5,7-14,26-28H,6H2,1-4H3
InChIKeyIWVBXHCTGZHCPU-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)
prenylterphenyllin B (CHEBI:67527) has role Aspergillus metabolite (CHEBI:76956)
prenylterphenyllin B (CHEBI:67527) has role antineoplastic agent (CHEBI:35610)
prenylterphenyllin B (CHEBI:67527) is a para-terphenyl (CHEBI:75874)
prenylterphenyllin B (CHEBI:67527) is a dimethoxybenzene (CHEBI:51681)
prenylterphenyllin B (CHEBI:67527) is a phenols (CHEBI:33853)
IUPAC Name 
3',6'-dimethoxy-3''-(3-methylbut-2-en-1-yl)-1,1':4',1''-terphenyl-2',4,4''-triol
Registry NumbersSources
Reaxys:21577512Reaxys
Citations