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CHEBI:65469 - bauhinoxepin B

Default Structure
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:
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.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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