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CHEBI:69703 - griffithane D

ChEBI IDCHEBI:69703
ChEBI Namegriffithane D
Stars
DefinitionA member of the class of 1,4-benzoquinones that is 1,4-benzoquinone which has been substituted by a methoxy group at position 5 and a 3-(4-hydroxy-3-methoxyphenyl)propyl group at position 2. It has been isolated from the stems of Combretum griffithii and has been shown to exhibit anticancer activity.
Last Modified3 June 2016
DownloadsMolfile
FormulaC17H18O5
Net Charge0
Average Mass302.326
Monoisotopic Mass302.11542
SMILESCOC1=CC(=O)C(CCCc2ccc(O)c(OC)c2)=CC1=O
InChIInChI=1S/C17H18O5/c1-21-16-8-11(6-7-13(16)18)4-3-5-12-9-15(20)17(22-2)10-14(12)19/h6-10,18H,3-5H2,1-2H3
InChIKeyQMDYKPDQQKWJLM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Combretum griffithii (IPNI:170132-1) stem (BTO:0001300) PubMed (21919533) Methanol extract of air-dried stems.
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
griffithane D (CHEBI:69703) has role antineoplastic agent (CHEBI:35610)
griffithane D (CHEBI:69703) has role metabolite (CHEBI:25212)
griffithane D (CHEBI:69703) has role plant metabolite (CHEBI:76924)
griffithane D (CHEBI:69703) is a 1,4-benzoquinones (CHEBI:132124)
griffithane D (CHEBI:69703) is a monomethoxybenzene (CHEBI:25235)
griffithane D (CHEBI:69703) is a phenols (CHEBI:33853)
IUPAC Name 
2-[3-(4-hydroxy-3-methoxyphenyl)propyl]-5-methoxycyclohexa-2,5-diene-1,4-dione
Citations