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CHEBI:67528 - prenylterphenyllin C

ChEBI IDCHEBI:67528
ChEBI Nameprenylterphenyllin C
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 5 and hydroxy groups at positions 2', 3, 4 and 4''. Isolated from the fungus, Aspergillus taichungensis, it exhibits cytotoxic activity.
Last Modified13 January 2014
DownloadsMolfile
FormulaC25H26O6
Net Charge0
Average Mass422.477
Monoisotopic Mass422.17294
SMILESCOc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1cc(O)c(O)c(CC=C(C)C)c1
InChIInChI=1S/C25H26O6/c1-14(2)5-6-16-11-17(12-20(27)23(16)28)22-21(30-3)13-19(25(31-4)24(22)29)15-7-9-18(26)10-8-15/h5,7-13,26-29H,6H2,1-4H3
InChIKeyMSCQYWSENVKIPX-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 C (CHEBI:67528) has role Aspergillus metabolite (CHEBI:76956)
prenylterphenyllin C (CHEBI:67528) has role antineoplastic agent (CHEBI:35610)
prenylterphenyllin C (CHEBI:67528) is a para-terphenyl (CHEBI:75874)
prenylterphenyllin C (CHEBI:67528) is a catechols (CHEBI:33566)
prenylterphenyllin C (CHEBI:67528) is a dimethoxybenzene (CHEBI:51681)
IUPAC Name 
3',6'-dimethoxy-5-(3-methylbut-2-en-1-yl)-1,1':4',1''-terphenyl-2',3,4,4''-tetrol
Registry NumbersSources
Reaxys:21577515Reaxys
Citations