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CHEBI:16380 - vindoline
| Formula | C25H32N2O6 |
| Net Charge | 0 |
| Average Mass | 456.539 |
| Monoisotopic Mass | 456.22604 |
| SMILES | [H][C@@]12N(C)c3cc(OC)ccc3[C@@]13CCN1CC=C[C@@](CC)([C@@H](OC(C)=O)[C@]2(O)C(=O)OC)[C@]13[H] |
| InChI | InChI=1S/C25H32N2O6/c1-6-23-10-7-12-27-13-11-24(19(23)27)17-9-8-16(31-4)14-18(17)26(3)20(24)25(30,22(29)32-5)21(23)33-15(2)28/h7-10,14,19-21,30H,6,11-13H2,1-5H3/t19-,20+,21+,23+,24+,25-/m0/s1 |
| InChIKey | CXBGOBGJHGGWIE-ACSXSLCXSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| 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) |
| vindoline (CHEBI:16380) is a acetate ester (CHEBI:47622) |
| vindoline (CHEBI:16380) is a alkaloid ester (CHEBI:38481) |
| vindoline (CHEBI:16380) is a methyl ester (CHEBI:25248) |
| vindoline (CHEBI:16380) is a organic heteropentacyclic compound (CHEBI:38164) |
| vindoline (CHEBI:16380) is a tertiary alcohol (CHEBI:26878) |
| vindoline (CHEBI:16380) is a tertiary amino compound (CHEBI:50996) |
| vindoline (CHEBI:16380) is a vinca alkaloid (CHEBI:27288) |
| vindoline (CHEBI:16380) is conjugate base of vindolinium(1+) (CHEBI:57753) |
| Incoming Relation(s) |
| 11-O-demethyl-17-O-deacetylvindoline (CHEBI:16147) has functional parent vindoline (CHEBI:16380) |
| 17-O-deacetylvindoline (CHEBI:18362) has functional parent vindoline (CHEBI:16380) |
| deacetoxyvindoline (CHEBI:16957) has functional parent vindoline (CHEBI:16380) |
| vindolinium(1+) (CHEBI:57753) is conjugate acid of vindoline (CHEBI:16380) |
| IUPAC Name |
|---|
| methyl 4β-acetyloxy-3β-hydroxy-16-methoxy-1-methyl-6,7-didehydro-2β,5α,12β,19α-aspidospermidine-3α-carboxylate |
| Synonym | Source |
|---|---|
| Vindoline | KEGG COMPOUND |