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CHEBI:50694 - minocycline
| Formula | C23H27N3O7 |
| Net Charge | 0 |
| Average Mass | 457.483 |
| Monoisotopic Mass | 457.18490 |
| SMILES | [H][C@@]12Cc3c(N(C)C)ccc(O)c3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2 |
| InChI | InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27,29-30,33H,7-8H2,1-4H3,(H2,24,32)/t9-,11-,17-,23-/m0/s1 |
| InChIKey | DYKFCLLONBREIL-KVUCHLLUSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Escherichia coli (ncbitaxon:562) | - | PubMed (21988831) |
| Roles Classification |
|---|
| Biological Roles: | immunosuppressive agent An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response. anti-HIV agent An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus. analgesic An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms. antibacterial drug A drug used to treat or prevent bacterial infections. antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. |
| Applications: | antirheumatic drug A drug used to treat rheumatoid arthritis. immunosuppressive agent An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response. antihypertensive agent Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism. neuroprotective agent Any compound that can be used for the treatment of neurodegenerative disorders. geroprotector Any compound that supports healthy aging, slows the biological aging process, or extends lifespan. analgesic An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. antiinfective agent A substance used in the prophylaxis or therapy of infectious diseases. antipsychotic agent Antipsychotic drugs are agents that control agitated psychotic behaviour, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect. anti-asthmatic agent Any compound that has anti-asthmatic effects. antiparkinson drug A drug used in the treatment of Parkinson's disease. anti-arrhythmia drug A drug used for the treatment or prevention of cardiac arrhythmias. Anti-arrhythmia drugs may affect the polarisation-repolarisation phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibres. antibacterial drug A drug used to treat or prevent bacterial infections. antifibrotic agent Any agent which acts to reduce fibrosis. antidepressant Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions. ophthalmology drug Any compound used for the treatment of eye conditions or eye diseases. anti-inflammatory agent Any compound that has anti-inflammatory effects. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| minocycline (CHEBI:50694) has role Escherichia coli metabolite (CHEBI:76971) |
| minocycline (CHEBI:50694) has role analgesic (CHEBI:35480) |
| minocycline (CHEBI:50694) has role anti-arrhythmia drug (CHEBI:38070) |
| minocycline (CHEBI:50694) has role anti-asthmatic agent (CHEBI:65023) |
| minocycline (CHEBI:50694) has role anti-HIV agent (CHEBI:64946) |
| minocycline (CHEBI:50694) has role anti-inflammatory agent (CHEBI:67079) |
| minocycline (CHEBI:50694) has role antibacterial agent (CHEBI:33282) |
| minocycline (CHEBI:50694) has role antibacterial drug (CHEBI:36047) |
| minocycline (CHEBI:50694) has role antidepressant (CHEBI:35469) |
| minocycline (CHEBI:50694) has role antifibrotic agent (CHEBI:233423) |
| minocycline (CHEBI:50694) has role antihypertensive agent (CHEBI:35674) |
| minocycline (CHEBI:50694) has role antiinfective agent (CHEBI:35441) |
| minocycline (CHEBI:50694) has role antimicrobial agent (CHEBI:33281) |
| minocycline (CHEBI:50694) has role antineoplastic agent (CHEBI:35610) |
| minocycline (CHEBI:50694) has role antiparkinson drug (CHEBI:48407) |
| minocycline (CHEBI:50694) has role antipsychotic agent (CHEBI:35476) |
| minocycline (CHEBI:50694) has role antirheumatic drug (CHEBI:35842) |
| minocycline (CHEBI:50694) has role geroprotector (CHEBI:176497) |
| minocycline (CHEBI:50694) has role immunosuppressive agent (CHEBI:35705) |
| minocycline (CHEBI:50694) has role neuroprotective agent (CHEBI:63726) |
| minocycline (CHEBI:50694) has role ophthalmology drug (CHEBI:66981) |
| minocycline (CHEBI:50694) is a tertiary α-hydroxy ketone (CHEBI:139592) |
| minocycline (CHEBI:50694) is a tetracenomycin (CHEBI:48132) |
| minocycline (CHEBI:50694) is a tetracyclines (CHEBI:26895) |
| minocycline (CHEBI:50694) is conjugate acid of minocycline(1−) (CHEBI:71337) |
| minocycline (CHEBI:50694) is tautomer of minocycline zwitterion (CHEBI:77906) |
| Incoming Relation(s) |
| minocycline hydrochloride (CHEBI:50697) has part minocycline (CHEBI:50694) |
| minocycline(1−) (CHEBI:71337) is conjugate base of minocycline (CHEBI:50694) |
| minocycline zwitterion (CHEBI:77906) is tautomer of minocycline (CHEBI:50694) |
| IUPAC Name |
|---|
| (4S,4aS,5aR,12aS)-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide |
| INNs | Source |
|---|---|
| minociclina | DrugBank |
| minociclinum | DrugBank |
| minocycline | ChemIDplus |
| Synonyms | Source |
|---|---|
| (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE | PDBeChem |
| 7-Dimethylamino-6-demethyl-6-deoxytetracycline | ChemIDplus |
| Minocycline | KEGG COMPOUND |
| minomycin | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| 16735907 | ChemSpider |
| 1813 | DrugCentral |
| C00018686 | KNApSAcK |
| C07225 | KEGG COMPOUND |
| D05045 | KEGG DRUG |
| DB01017 | DrugBank |
| HMDB0015152 | HMDB |
| LMPK07000002 | LIPID MAPS |
| MIY | PDBeChem |
| US3226436 | Patent |
| WO2008104734 | Patent |
| Registry Numbers | Sources |
|---|---|
| Reaxys:3077644 | Reaxys |
| CAS:10118-90-8 | KEGG COMPOUND |
| CAS:10118-90-8 | ChemIDplus |
| Citations |
|---|