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CHEBI:66667 - manzamine A
| Formula | C36H44N4O |
| Net Charge | 0 |
| Average Mass | 548.775 |
| Monoisotopic Mass | 548.35151 |
| SMILES | [H][C@@]12N3CCCC/C=C\[C@@]3([H])C[C@@]13CN1CCCC/C=C\CC[C@]2(O)C=C(c2nccc4c2nc2ccccc24)[C@]3([H])CC1 |
| InChI | InChI=1S/C36H44N4O/c41-36-18-10-4-1-2-5-11-20-39-22-17-30(35(25-39)23-26-13-7-3-6-12-21-40(26)34(35)36)29(24-36)32-33-28(16-19-37-32)27-14-8-9-15-31(27)38-33/h1,4,7-9,13-16,19,24,26,30,34,38,41H,2-3,5-6,10-12,17-18,20-23,25H2/b4-1-,13-7-/t26-,30-,34+,35-,36-/m0/s1 |
| InChIKey | FUCSLKWLLSEMDQ-MKYGIPPKSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Pachypellina (WORMS:167006) | - | PubMed (8158160) | Manzamine A was isolated as Hydrochloride salt(positive charge on pyrrolidinium nitrogen) |
| Acanthostrongylophora (ncbitaxon:178473) | - | PubMed (17708655) | |
| Haliclona (ncbitaxon:34490) | - | DOI (10.1021/ja00280a055) | Manzamine A was isolated as Hydrochloride salt(positive charge on pyrrolidinium nitrogen) |
| Roles Classification |
|---|
| Biological Roles: | antimalarial A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human. marine metabolite Any metabolite produced during a metabolic reaction in marine macro- and microorganisms. animal metabolite Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals. anti-HSV-1 agent An anti-HSV agent agent that destroys or inhibits the replication of herpes simplex virus-1. 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. |
| Applications: | antimalarial A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| manzamine A (CHEBI:66667) has role animal metabolite (CHEBI:75767) |
| manzamine A (CHEBI:66667) has role anti-HSV-1 agent (CHEBI:64953) |
| manzamine A (CHEBI:66667) has role antimalarial (CHEBI:38068) |
| manzamine A (CHEBI:66667) has role antineoplastic agent (CHEBI:35610) |
| manzamine A (CHEBI:66667) has role EC 2.7.11.26 (tau-protein kinase) inhibitor (CHEBI:91092) |
| manzamine A (CHEBI:66667) has role marine metabolite (CHEBI:76507) |
| manzamine A (CHEBI:66667) is a alkaloid (CHEBI:22315) |
| manzamine A (CHEBI:66667) is a isoquinolines (CHEBI:24922) |
| manzamine A (CHEBI:66667) is a β-carbolines (CHEBI:60834) |
| Incoming Relation(s) |
| 6-hydroxymanzamine A (CHEBI:66668) has functional parent manzamine A (CHEBI:66667) |
| 8-hydroxymanzamine A (CHEBI:66669) has functional parent manzamine A (CHEBI:66667) |
| IUPAC Name |
|---|
| (4aR,7S,7aR,13Z,14aR,15aR,18Z)-5-(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 |
| Manual Xrefs | Databases |
|---|---|
| US2012289533 | Patent |
| Registry Numbers | Sources |
|---|---|
| Reaxys:4625288 | Reaxys |
| CAS:104196-68-1 | ChemIDplus |
| Citations |
|---|