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CHEBI:65468 - bauhinoxepin A

ChEBI IDCHEBI:65468
ChEBI Namebauhinoxepin A
Stars
DefinitionAn organic heterotetracyclic compound that is 3H-chromeno[6,5-b][1]benzoxepine substituted by geminal methyl groups at position 3, a single methyl group at position 5 and hydroxy groups at positions 6 and 11. It is isolated from the roots of Bauhinia saccocalyx and exhibits antimycobacterial activity.
Last Modified19 November 2012
DownloadsMolfile
FormulaC20H18O4
Net Charge0
Average Mass322.360
Monoisotopic Mass322.12051
SMILESCc1c(O)c2c(c3c1OC(C)(C)C=C3)C=Cc1c(O)cccc1O2
InChIInChI=1S/C20H18O4/c1-11-17(22)19-12(13-9-10-20(2,3)24-18(11)13)7-8-14-15(21)5-4-6-16(14)23-19/h4-10,21-22H,1-3H3
InChIKeyBQFBLGBPUARBGM-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 A (CHEBI:65468) has role antimycobacterial drug (CHEBI:64912)
bauhinoxepin A (CHEBI:65468) has role metabolite (CHEBI:25212)
bauhinoxepin A (CHEBI:65468) is a cyclic ether (CHEBI:37407)
bauhinoxepin A (CHEBI:65468) is a organic heterotetracyclic compound (CHEBI:38163)
bauhinoxepin A (CHEBI:65468) is a polyphenol (CHEBI:26195)
IUPAC Name 
3,3,5-trimethyl-3H-chromeno[6,5-b][1]benzoxepine-6,11-diol
Registry NumbersSources
Reaxys:9794360Reaxys