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CHEBI:69702 - griffithane C

ChEBI IDCHEBI:69702
ChEBI Namegriffithane C
Stars
DefinitionA member of the class of catechols that is benzene-1,2-diol substituted by a methoxy group at position 5 and a 3-(3,4-dimethoxyphenyl)propyl group at position 4. It has been isolated from the stems of Combretum griffithii.
Last Modified9 January 2014
DownloadsMolfile
FormulaC18H22O5
Net Charge0
Average Mass318.369
Monoisotopic Mass318.14672
SMILESCOc1cc(O)c(O)cc1CCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C18H22O5/c1-21-16-8-7-12(9-18(16)23-3)5-4-6-13-10-14(19)15(20)11-17(13)22-2/h7-11,19-20H,4-6H2,1-3H3
InChIKeyKKEWRDFFOCYCGG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Combretum griffithii (IPNI:170132-1) stem (BTO:0001300) PubMed (21919533) Methanol extract of air-dried stems.
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
griffithane C (CHEBI:69702) has role plant metabolite (CHEBI:76924)
griffithane C (CHEBI:69702) is a catechols (CHEBI:33566)
griffithane C (CHEBI:69702) is a dimethoxybenzene (CHEBI:51681)
IUPAC Name 
4-[3-(3,4-dimethoxyphenyl)propyl]-5-methoxybenzene-1,2-diol
Synonym  Source
1-(4,5-dihydroxy-2-methoxyphenyl)-3-(3,4-dimethoxyphenyl)propaneChEBI
Registry NumbersSources
Reaxys:21975541Reaxys
Citations