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CHEBI:18430 - 3-hydroxy-16-methoxy-2,3-dihydrotabersonine
| Formula | C22H28N2O4 |
| Net Charge | 0 |
| Average Mass | 384.476 |
| Monoisotopic Mass | 384.20491 |
| SMILES | [H][C@@]12Nc3cc(OC)ccc3[C@@]13CCN1CC=C[C@@](CC)(C[C@]2(O)C(=O)OC)[C@]13[H] |
| InChI | InChI=1S/C22H28N2O4/c1-4-20-8-5-10-24-11-9-21(18(20)24)15-7-6-14(27-2)12-16(15)23-17(21)22(26,13-20)19(25)28-3/h5-8,12,17-18,23,26H,4,9-11,13H2,1-3H3/t17-,18+,20+,21+,22-/m1/s1 |
| InChIKey | MLIQIRKAHMVCDD-MMGCJVFTSA-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) |
| 3-hydroxy-16-methoxy-2,3-dihydrotabersonine (CHEBI:18430) has functional parent tabersonine (CHEBI:16776) |
| 3-hydroxy-16-methoxy-2,3-dihydrotabersonine (CHEBI:18430) is a methyl ester (CHEBI:25248) |
| 3-hydroxy-16-methoxy-2,3-dihydrotabersonine (CHEBI:18430) is a monoterpenoid indole alkaloid (CHEBI:65323) |
| 3-hydroxy-16-methoxy-2,3-dihydrotabersonine (CHEBI:18430) is a organic heteropentacyclic compound (CHEBI:38164) |
| 3-hydroxy-16-methoxy-2,3-dihydrotabersonine (CHEBI:18430) is a tertiary alcohol (CHEBI:26878) |
| 3-hydroxy-16-methoxy-2,3-dihydrotabersonine (CHEBI:18430) is conjugate base of 3-hydroxy-16-methoxy-2,3-dihydrotabersoninium (CHEBI:58485) |
| Incoming Relation(s) |
| 3-hydroxy-16-methoxy-2,3-dihydrotabersoninium (CHEBI:58485) is conjugate acid of 3-hydroxy-16-methoxy-2,3-dihydrotabersonine (CHEBI:18430) |
| IUPAC Name |
|---|
| methyl 3β-hydroxy-16-methoxy-6,7-didehydro-2β,5α,12β,19α-aspidospermidine-3α-carboxylate |
| Synonyms | Source |
|---|---|
| 16-methoxy-2,3-dihydro-3-hydroxytabersonine | ChEBI |
| 16-Methoxy-2,3-dihydro-3-hydroxytabersonine | KEGG COMPOUND |