EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:69701 - griffithane B

ChEBI IDCHEBI:69701
ChEBI Namegriffithane B
Stars
DefinitionA dimethoxybenzene that is 2,6-dimethoxyphenol substituted by a 3-(4-hydroxy-3-methoxyphenyl)propyl group at position 3. It has been isolated from the stems of Combretum griffithii and has been shown to exhibit anticancer activity.
Last Modified9 January 2014
DownloadsMolfile
FormulaC18H22O5
Net Charge0
Average Mass318.369
Monoisotopic Mass318.14672
SMILESCOc1cc(CCCc2ccc(OC)c(O)c2OC)ccc1O
InChIInChI=1S/C18H22O5/c1-21-15-10-8-13(18(23-3)17(15)20)6-4-5-12-7-9-14(19)16(11-12)22-2/h7-11,19-20H,4-6H2,1-3H3
InChIKeySJGYVNCWNFAEPN-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.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
griffithane B (CHEBI:69701) has role antineoplastic agent (CHEBI:35610)
griffithane B (CHEBI:69701) has role plant metabolite (CHEBI:76924)
griffithane B (CHEBI:69701) is a dimethoxybenzene (CHEBI:51681)
griffithane B (CHEBI:69701) is a polyphenol (CHEBI:26195)
IUPAC Name 
3-[3-(4-hydroxy-3-methoxyphenyl)propyl]-2,6-dimethoxyphenol
Synonym  Source
1-(3-hydroxy-2,4-dimethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)propaneChEBI
Registry NumbersSources
Reaxys:21975540Reaxys
Citations