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CHEBI:27375 - vincaleukoblastine
| Formula | C46H58N4O9 |
| Net Charge | 0 |
| Average Mass | 810.989 |
| Monoisotopic Mass | 810.42038 |
| SMILES | [H][C@@]12N(C)c3cc(OC)c([C@@]4(C(=O)OC)C[C@@H]5CN(CCc6c4nc4ccccc64)C[C@](O)(CC)C5)cc3[C@@]13CCN1CC=C[C@@](CC)([C@@H](OC(C)=O)[C@]2(O)C(=O)OC)[C@]13[H] |
| InChI | InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1 |
| InChIKey | JXLYSJRDGCGARV-XQKSVPLYSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Catharanthus roseus (ncbitaxon:4058) | - | PubMed (26009689) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| 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. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. microtubule-destabilising agent Any substance that interacts with tubulin to inhibit polymerisation of microtubules. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Applications: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. 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. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| vincaleukoblastine (CHEBI:27375) has role antineoplastic agent (CHEBI:35610) |
| vincaleukoblastine (CHEBI:27375) has role immunosuppressive agent (CHEBI:35705) |
| vincaleukoblastine (CHEBI:27375) has role microtubule-destabilising agent (CHEBI:61951) |
| vincaleukoblastine (CHEBI:27375) has role plant metabolite (CHEBI:76924) |
| vincaleukoblastine (CHEBI:27375) is a acetate ester (CHEBI:47622) |
| vincaleukoblastine (CHEBI:27375) is a indole alkaloid fundamental parent (CHEBI:38482) |
| vincaleukoblastine (CHEBI:27375) is a methyl ester (CHEBI:25248) |
| vincaleukoblastine (CHEBI:27375) is a organic heteropentacyclic compound (CHEBI:38164) |
| vincaleukoblastine (CHEBI:27375) is a organic heterotetracyclic compound (CHEBI:38163) |
| vincaleukoblastine (CHEBI:27375) is a tertiary alcohol (CHEBI:26878) |
| vincaleukoblastine (CHEBI:27375) is a tertiary amino compound (CHEBI:50996) |
| vincaleukoblastine (CHEBI:27375) is a vinca alkaloid (CHEBI:27288) |
| Incoming Relation(s) |
| vincaleukoblastine sulfate (CHEBI:9984) has functional parent vincaleukoblastine (CHEBI:27375) |
| vindesine (CHEBI:36373) has functional parent vincaleukoblastine (CHEBI:27375) |
| vincristine (CHEBI:28445) has parent hydride vincaleukoblastine (CHEBI:27375) |
| IUPAC Name |
|---|
| vincaleukoblastine |
| INNs | Source |
|---|---|
| vinblastina | WHO MedNet |
| vinblastine | WHO MedNet |
| vinblastine | WHO MedNet |
| vinblastinum | WHO MedNet |
| Synonyms | Source |
|---|---|
| (2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE | PDBeChem |
| (+)-vinblastine | ChEBI |
| VLB | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| 2823 | DrugCentral |
| C00001781 | KNApSAcK |
| C07201 | KEGG COMPOUND |
| D08675 | KEGG DRUG |
| DB00570 | DrugBank |
| HMDB0014710 | HMDB |
| Vinblastine | Wikipedia |
| VLB | PDBeChem |
| Registry Numbers | Sources |
|---|---|
| Beilstein:4779207 | Beilstein |
| CAS:865-21-4 | ChemIDplus |
| CAS:865-21-4 | KEGG COMPOUND |
| Citations |
|---|