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CHEBI:16957 - deacetoxyvindoline
| Formula | C23H30N2O4 |
| Net Charge | 0 |
| Average Mass | 398.503 |
| Monoisotopic Mass | 398.22056 |
| SMILES | [H][C@]12N3CC=C[C@@]1(CC)C[C@](O)(C(=O)OC)[C@]1([H])N(C)c4cc(OC)ccc4[C@]21CC3 |
| InChI | InChI=1S/C23H30N2O4/c1-5-21-9-6-11-25-12-10-22(18(21)25)16-8-7-15(28-3)13-17(16)24(2)19(22)23(27,14-21)20(26)29-4/h6-9,13,18-19,27H,5,10-12,14H2,1-4H3/t18-,19+,21-,22+,23+/m0/s1 |
| InChIKey | WNKDGPXNFMMOEJ-RNJSZURPSA-N |
| Roles Classification |
|---|
| Biological Role: | 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) |
| deacetoxyvindoline (CHEBI:16957) has functional parent vindoline (CHEBI:16380) |
| deacetoxyvindoline (CHEBI:16957) is a methyl ester (CHEBI:25248) |
| deacetoxyvindoline (CHEBI:16957) is a organic heteropentacyclic compound (CHEBI:38164) |
| deacetoxyvindoline (CHEBI:16957) is a tertiary alcohol (CHEBI:26878) |
| deacetoxyvindoline (CHEBI:16957) is a vinca alkaloid (CHEBI:27288) |
| deacetoxyvindoline (CHEBI:16957) is conjugate base of deacetoxyvindolinium(1+) (CHEBI:57965) |
| Incoming Relation(s) |
| deacetoxyvindolinium(1+) (CHEBI:57965) is conjugate acid of deacetoxyvindoline (CHEBI:16957) |
| IUPAC Name |
|---|
| methyl 3β-hydroxy-16-methoxy-1-methyl-6,7-didehydro-2β,5α,12β,19α-aspidospermidine-3α-carboxylate |
| Synonyms | Source |
|---|---|
| Desacetoxyvindoline | KEGG COMPOUND |
| 16-Methoxy-2,3-dihydro-3-hydroxy-N-methyltabersonine | KEGG COMPOUND |
| Deacetoxyvindoline | KEGG COMPOUND |