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CHEBI:65469 - bauhinoxepin B

ChEBI IDCHEBI:65469
ChEBI Namebauhinoxepin B
Stars
DefinitionA dibenzooxepine that is dibenzo[b,f]oxepine substituted by a methoxy group at position 6, a methyl group at position 7, a prenyl group at position 2 and hydroxy groups at positions 1 and 8 respectively. It is isolated from the roots of Bauhinia saccocalyx and exhibits antimycobacterial activity.
Last Modified19 November 2012
DownloadsMolfile
FormulaC21H22O4
Net Charge0
Average Mass338.403
Monoisotopic Mass338.15181
SMILESCOc1c(C)c(O)cc2c1Oc1ccc(CC=C(C)C)c(O)c1C=C2
InChIInChI=1S/C21H22O4/c1-12(2)5-6-14-8-10-18-16(19(14)23)9-7-15-11-17(22)13(3)20(24-4)21(15)25-18/h5,7-11,22-23H,6H2,1-4H3
InChIKeyLSRDCIRGVJBGRF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bauhinia saccocalyx (IPNI:481650-1) root (BTO:0001188) DOI (10.1002/hlca.200490006)
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.
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.
Application:
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 B (CHEBI:65469) has role antimycobacterial drug (CHEBI:64912)
bauhinoxepin B (CHEBI:65469) has role metabolite (CHEBI:25212)
bauhinoxepin B (CHEBI:65469) is a aromatic ether (CHEBI:35618)
bauhinoxepin B (CHEBI:65469) is a dibenzooxepine (CHEBI:38926)
bauhinoxepin B (CHEBI:65469) is a polyphenol (CHEBI:26195)
IUPAC Name 
6-methoxy-7-methyl-2-(3-methylbut-2-enyl)dibenzo[b,f]oxepine-1,8-diol
Registry NumbersSources
Reaxys:9798611Reaxys