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CHEBI:65470 - bauhinoxepin F

ChEBI IDCHEBI:65470
ChEBI Namebauhinoxepin F
Stars
DefinitionA dibenzooxepine that is 10,11-dihydrodibenzo[b,f]oxepine substituted by methoxy groups at positions 6 and 9, methyl group at position 7 and hydroxy groups at positions 1 and 8 respectively. It is isolated from the root extract of Bauhinia purpurea and exhibits antimalarial, antimycobacterial, antifungal, anti-inflammatory and cytotoxic activities.
Last Modified19 November 2012
DownloadsMolfile
FormulaC17H18O5
Net Charge0
Average Mass302.326
Monoisotopic Mass302.11542
SMILESCOc1c(O)c(C)c(OC)c2c1CCc1c(O)cccc1O2
InChIInChI=1S/C17H18O5/c1-9-14(19)16(21-3)11-8-7-10-12(18)5-4-6-13(10)22-17(11)15(9)20-2/h4-6,18-19H,7-8H2,1-3H3
InChIKeyXVMLDDFWHNGJME-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bauhinia purpurea (ncbitaxon:3806) root (BTO:0001188) PubMed (17480099)
Roles Classification
Biological Roles:
antimalarial  A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
cyclooxygenase 2 inhibitor  A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 2.
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.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
Applications:
antimalarial  A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human.
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
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.
ChEBI Ontology
Outgoing Relation(s)
bauhinoxepin F (CHEBI:65470) has role anti-inflammatory agent (CHEBI:67079)
bauhinoxepin F (CHEBI:65470) has role antifungal agent (CHEBI:35718)
bauhinoxepin F (CHEBI:65470) has role antimalarial (CHEBI:38068)
bauhinoxepin F (CHEBI:65470) has role antimycobacterial drug (CHEBI:64912)
bauhinoxepin F (CHEBI:65470) has role cyclooxygenase 2 inhibitor (CHEBI:50629)
bauhinoxepin F (CHEBI:65470) has role metabolite (CHEBI:25212)
bauhinoxepin F (CHEBI:65470) is a aromatic ether (CHEBI:35618)
bauhinoxepin F (CHEBI:65470) is a dibenzooxepine (CHEBI:38926)
bauhinoxepin F (CHEBI:65470) is a polyphenol (CHEBI:26195)
IUPAC Name 
6,9-dimethoxy-7-methyl-10,11-dihydrodibenzo[b,f]oxepine-1,8-diol
Synonym  Source
5,6-dihydro-3,7-dihydroxy-1,4-methoxy-2-methyldibenz[b,f]oxepinChEBI
Registry NumbersSources
Reaxys:11175323Reaxys
Citations