CHEBI:65469 - bauhinoxepin B

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ChEBI Name bauhinoxepin B
ChEBI ID CHEBI:65469
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H22O4
Net Charge 0
Average Mass 338.39700
Monoisotopic Mass 338.15181
InChI InChI=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
InChIKey LSRDCIRGVJBGRF-UHFFFAOYSA-N
SMILES COc1c(C)c(O)cc2C=Cc3c(O)c(CC=C(C)C)ccc3Oc12
Metabolite of Species Details
Bauhinia saccocalyx (IPNI:481650-1) Found in root (BTO:0001188). See: DOI
Roles Classification
Biological Role(s): 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(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Number Type Source
9798611 Reaxys Registry Number Reaxys
Last Modified
19 November 2012
General Comment
2012-11-19 Helv.Chim.Acta 2004,87,175-179.