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CHEBI:67529 - 4''-dehydro-3-hydroxyterphenyllin

ChEBI IDCHEBI:67529
ChEBI Name4''-dehydro-3-hydroxyterphenyllin
Stars
DefinitionA para-terphenyl that is the 4''-dehydro derivative of 3-hydroxyterphenyllin. It has been isolated from Aspergillus taichungensis.
Last Modified13 January 2014
DownloadsMolfile
FormulaC20H18O5
Net Charge0
Average Mass338.359
Monoisotopic Mass338.11542
SMILESCOc1cc(-c2ccccc2)c(OC)c(O)c1-c1ccc(O)c(O)c1
InChIInChI=1S/C20H18O5/c1-24-17-11-14(12-6-4-3-5-7-12)20(25-2)19(23)18(17)13-8-9-15(21)16(22)10-13/h3-11,21-23H,1-2H3
InChIKeyQVPSTGJFYRHFSU-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)
4''-dehydro-3-hydroxyterphenyllin (CHEBI:67529) has functional parent 3-hydroxyterphenyllin (CHEBI:67536)
4''-dehydro-3-hydroxyterphenyllin (CHEBI:67529) has role Aspergillus metabolite (CHEBI:76956)
4''-dehydro-3-hydroxyterphenyllin (CHEBI:67529) has role antineoplastic agent (CHEBI:35610)
4''-dehydro-3-hydroxyterphenyllin (CHEBI:67529) is a para-terphenyl (CHEBI:75874)
4''-dehydro-3-hydroxyterphenyllin (CHEBI:67529) is a catechols (CHEBI:33566)
4''-dehydro-3-hydroxyterphenyllin (CHEBI:67529) is a dimethoxybenzene (CHEBI:51681)
IUPAC Name 
3',6'-dimethoxy-1,1':4',1''-terphenyl-2',3,4-triol
Registry NumbersSources
Reaxys:21577510Reaxys
Citations