CHEBI:65468 - bauhinoxepin A

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ChEBI Name bauhinoxepin A
ChEBI ID CHEBI:65468
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C20H18O4
Net Charge 0
Average Mass 322.35450
Monoisotopic Mass 322.12051
InChI InChI=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
InChIKey BQFBLGBPUARBGM-UHFFFAOYSA-N
SMILES Cc1c(O)c2Oc3cccc(O)c3C=Cc2c2C=CC(C)(C)Oc12
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 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 Number Type Source
9794360 Reaxys Registry Number Reaxys
Last Modified
19 November 2012
General Comment
2012-11-19 Helv.Chim.Acta 2004,87,175-179.