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CHEBI:69704 - 1-(2-hydroxy-4-methoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)propane

Default Structure
ChEBI IDCHEBI:69704
ChEBI Name1-(2-hydroxy-4-methoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)propane
Stars
DefinitionA monomethoxybenzene that is 2-methoxyphenol substituted by a 3-(2-hydroxy-4-methoxyphenyl)propyl group at position 4. Isolated from the stems of Combretum griffithii, it exhibits anticancer activity.
Last Modified7 April 2017
DownloadsMolfile
FormulaC17H20O4
Net Charge0
Average Mass288.343
Monoisotopic Mass288.13616
SMILESCOc1ccc(CCCc2ccc(O)c(OC)c2)c(O)c1
InChIInChI=1S/C17H20O4/c1-20-14-8-7-13(16(19)11-14)5-3-4-12-6-9-15(18)17(10-12)21-2/h6-11,18-19H,3-5H2,1-2H3
InChIKeyUDWSABBWZXKLLQ-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:
antimycobacterial drug  A drug used to treat or prevent infections caused by Mycobacteria, a genus of actinobacteria. Aerobic and nonmotile, members of the genus include the pathogens responsible for causing tuberculosis and leprosy.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Applications:
antimycobacterial drug  A drug used to treat or prevent infections caused by Mycobacteria, a genus of actinobacteria. Aerobic and nonmotile, members of the genus include the pathogens responsible for causing tuberculosis and leprosy.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
1-(2-hydroxy-4-methoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)propane (CHEBI:69704) has role antimycobacterial drug (CHEBI:64912)
1-(2-hydroxy-4-methoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)propane (CHEBI:69704) has role antineoplastic agent (CHEBI:35610)
1-(2-hydroxy-4-methoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)propane (CHEBI:69704) has role metabolite (CHEBI:25212)
1-(2-hydroxy-4-methoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)propane (CHEBI:69704) has role plant metabolite (CHEBI:76924)
1-(2-hydroxy-4-methoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)propane (CHEBI:69704) is a guaiacols (CHEBI:134251)
IUPAC Name 
4-[3-(2-hydroxy-4-methoxyphenyl)propyl]-2-methoxyphenol
Registry NumbersSources
Reaxys:6521737Reaxys
Citations