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CHEBI:769 - 16-methoxytabersonine
| Formula | C22H26N2O3 |
| Net Charge | 0 |
| Average Mass | 366.461 |
| Monoisotopic Mass | 366.19434 |
| SMILES | [H][C@]12N3CC=C[C@@]1(CC)CC(C(=O)OC)=C1Nc4cc(OC)ccc4[C@@]12CC3 |
| InChI | InChI=1S/C22H26N2O3/c1-4-21-8-5-10-24-11-9-22(20(21)24)16-7-6-14(26-2)12-17(16)23-18(22)15(13-21)19(25)27-3/h5-8,12,20,23H,4,9-11,13H2,1-3H3/t20-,21-,22-/m0/s1 |
| InChIKey | AEXBRBWRPNGGEZ-FKBYEOEOSA-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) |
| 16-methoxytabersonine (CHEBI:769) has functional parent tabersonine (CHEBI:16776) |
| 16-methoxytabersonine (CHEBI:769) is a methyl ester (CHEBI:25248) |
| 16-methoxytabersonine (CHEBI:769) is a monoterpenoid indole alkaloid (CHEBI:65323) |
| 16-methoxytabersonine (CHEBI:769) is a organic heteropentacyclic compound (CHEBI:38164) |
| 16-methoxytabersonine (CHEBI:769) is a tertiary amino compound (CHEBI:50996) |
| 16-methoxytabersonine (CHEBI:769) is conjugate base of 16-methoxytabersoninium(1+) (CHEBI:58930) |
| Incoming Relation(s) |
| 16-methoxytabersoninium(1+) (CHEBI:58930) is conjugate acid of 16-methoxytabersonine (CHEBI:769) |
| IUPAC Name |
|---|
| methyl 16-methoxy-2,3,6,7-tetradehydro-5α,12β,19α-aspidospermidine-3-carboxylate |
| Synonym | Source |
|---|---|
| 16-Methoxytabersonine | KEGG COMPOUND |