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CHEBI:66668 - 6-hydroxymanzamine A

Default Structure
ChEBI IDCHEBI:66668
ChEBI Name6-hydroxymanzamine A
Stars
DefinitionAn alkaloid that is manzamine A with a hydroxy substituent at position 6. Isolated from Haliclona and Acanthostrongylophora, it exhibits inhibitory activity against Glycogen Synthase Kinase-3 (EC 2.7.11.26).
Last Modified4 February 2016
DownloadsMolfile
FormulaC36H44N4O2
Net Charge0
Average Mass564.774
Monoisotopic Mass564.34643
SMILES[H][C@@]12N3CCCC/C=C\[C@@]3([H])C[C@@]13CN1CCCC/C=C\CC[C@]2(O)C=C(c2nccc4c2nc2ccc(O)cc24)[C@]3([H])CC1
InChIInChI=1S/C36H44N4O2/c41-26-12-13-31-28(21-26)27-14-17-37-32(33(27)38-31)29-23-36(42)16-8-4-1-2-5-9-18-39-20-15-30(29)35(24-39)22-25-11-7-3-6-10-19-40(25)34(35)36/h1,4,7,11-14,17,21,23,25,30,34,38,41-42H,2-3,5-6,8-10,15-16,18-20,22,24H2/b4-1-,11-7-/t25-,30-,34+,35-,36-/m0/s1
InChIKeyCANRNZBVKKQKEQ-FFMUKQARSA-N
Species of MetaboliteComponentSourceComments
Acanthostrongylophora (ncbitaxon:178473) - PubMed (17708655)
Haliclona (ncbitaxon:34490) - DOI (10.1016/0040-4020(95)95723-9)
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.
EC 2.7.11.26 (tau-protein kinase) inhibitor  An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of tau-protein kinase inhibitor (EC 2.7.11.26).
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)
6-hydroxymanzamine A (CHEBI:66668) has functional parent manzamine A (CHEBI:66667)
6-hydroxymanzamine A (CHEBI:66668) has role EC 2.7.11.26 (tau-protein kinase) inhibitor (CHEBI:91092)
6-hydroxymanzamine A (CHEBI:66668) has role metabolite (CHEBI:25212)
6-hydroxymanzamine A (CHEBI:66668) is a alkaloid (CHEBI:22315)
6-hydroxymanzamine A (CHEBI:66668) is a isoquinolines (CHEBI:24922)
6-hydroxymanzamine A (CHEBI:66668) is a β-carbolines (CHEBI:60834)
IUPAC Name 
(4aR,7S,7aR,13Z,14aR,15aR,18Z)-5-(6-hydroxy-9H-β-carbolin-1-yl)-4,4a,9,10,11,12,14a,15-octahydro-3H-7,2-oct[3]enoazocino[1',2':1,5]pyrrolo[2,3-i]isoquinolin-7(1H,7aH)-ol
Registry NumbersSources
Reaxys:7240529Reaxys
Citations