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CHEBI:3211 - bulbocapnine

Default Structure
ChEBI IDCHEBI:3211
ChEBI Namebulbocapnine
Stars
DefinitionAn aporphine alkaloid that has been isolated from Corydalis and exhibits inhibitory activity against enzymes such as tyrosine 3-monooxygenase and diamine oxidase.
Last Modified6 April 2017
DownloadsMolfile
FormulaC19H19NO4
Net Charge0
Average Mass325.364
Monoisotopic Mass325.13141
SMILES[H][C@]12Cc3ccc(OC)c(O)c3-c3c4c(cc(c31)CCN2C)OCO4
InChIInChI=1S/C19H19NO4/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17/h3-4,8,12,21H,5-7,9H2,1-2H3/t12-/m0/s1
InChIKeyLODGIKWNLDQZBM-LBPRGKRZSA-N
Wikipedia
Roles Classification
Biological Roles:
EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor  An EC 1.14.16.* (oxidoreductase acting on paired donors, reduced pteridine as one donor, incorporating 1 atom of oxygen) inhibitor that interferes with the action of tyrosine 3-monooxygenase (EC 1.14.16.2).
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
EC 1.4.3.22 (diamine oxidase) inhibitor  An EC 1.4.3.* (oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor) inhibitor that interferes with the action of diamine oxidase (EC 1.4.3.22).
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
bulbocapnine (CHEBI:3211) has functional parent aporphine (CHEBI:35643)
bulbocapnine (CHEBI:3211) has role EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor (CHEBI:63932)
bulbocapnine (CHEBI:3211) has role EC 1.4.3.22 (diamine oxidase) inhibitor (CHEBI:53659)
bulbocapnine (CHEBI:3211) has role plant metabolite (CHEBI:76924)
bulbocapnine (CHEBI:3211) is a aporphine alkaloid (CHEBI:134209)
bulbocapnine (CHEBI:3211) is a aromatic ether (CHEBI:35618)
bulbocapnine (CHEBI:3211) is a oxacycle (CHEBI:38104)
bulbocapnine (CHEBI:3211) is a phenols (CHEBI:33853)
bulbocapnine (CHEBI:3211) is conjugate base of bulbocapnine(1+) (CHEBI:134215)
Incoming Relation(s)
N-methylbulbocapnine(1+) (CHEBI:134217) has functional parent bulbocapnine (CHEBI:3211)
bulbocapnine(1+) (CHEBI:134215) is conjugate acid of bulbocapnine (CHEBI:3211)
IUPAC Name 
(7aS)-11-methoxy-7-methyl-6,7,7a,8-tetrahydro-5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinolin-12-ol
Manual XrefsDatabases
BulbocapnineWikipedia
C00001824KNApSAcK
C09367KEGG COMPOUND
Registry NumbersSources
Reaxys:94758Reaxys
CAS:298-45-3KEGG COMPOUND
CAS:298-45-3ChemIDplus
Citations