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CHEBI:16776 - tabersonine
| Formula | C21H24N2O2 |
| Net Charge | 0 |
| Average Mass | 336.435 |
| Monoisotopic Mass | 336.18378 |
| SMILES | [H][C@]12N3CC=C[C@@]1(CC)CC(C(=O)OC)=C1Nc4ccccc4[C@@]12CC3 |
| InChI | InChI=1S/C21H24N2O2/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)25-2/h4-9,19,22H,3,10-13H2,1-2H3/t19-,20-,21-/m0/s1 |
| InChIKey | FNGGIPWAZSFKCN-ACRUOGEOSA-N |
| Roles Classification |
|---|
| Biological Roles: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| tabersonine (CHEBI:16776) has role antineoplastic agent (CHEBI:35610) |
| tabersonine (CHEBI:16776) has role metabolite (CHEBI:25212) |
| tabersonine (CHEBI:16776) is a alkaloid ester (CHEBI:38481) |
| tabersonine (CHEBI:16776) is a methyl ester (CHEBI:25248) |
| tabersonine (CHEBI:16776) is a monoterpenoid indole alkaloid (CHEBI:65323) |
| tabersonine (CHEBI:16776) is a organic heteropentacyclic compound (CHEBI:38164) |
| tabersonine (CHEBI:16776) is conjugate base of tabersoninium(1+) (CHEBI:57893) |
| Incoming Relation(s) |
| (3R)-1,2-didehydro-3-hydroxy-2,3-dihydrotabersonine (CHEBI:139124) has functional parent tabersonine (CHEBI:16776) |
| (3R)-3-hydroxy-2,3-dihydrotabersonine (CHEBI:139122) has functional parent tabersonine (CHEBI:16776) |
| 16-hydroxytabersonine (CHEBI:17699) has functional parent tabersonine (CHEBI:16776) |
| 16-methoxytabersonine (CHEBI:769) has functional parent tabersonine (CHEBI:16776) |
| 3-hydroxy-16-methoxy-2,3-dihydrotabersonine (CHEBI:18430) has functional parent tabersonine (CHEBI:16776) |
| jerantinine A (CHEBI:66119) has functional parent tabersonine (CHEBI:16776) |
| jerantinine B (CHEBI:66120) has functional parent tabersonine (CHEBI:16776) |
| tabersoninium(1+) (CHEBI:57893) is conjugate acid of tabersonine (CHEBI:16776) |
| IUPAC Name |
|---|
| methyl 2,3,6,7-tetradehydro-5α,12β,19α-aspidospermidine-3-carboxylate |
| Synonyms | Source |
|---|---|
| Tabersonine | KEGG COMPOUND |
| methyl (5α,12β,19α)-2,3,6,7-tetradehydroaspidospermidine-3-carboxylate | ChEBI |
| Tabersonin | ChemIDplus |
| (5α,12β,19α)-2,3,6,7-tetradehydroaspidospermidine-3-carboxylic acid, methyl ester | ChemIDplus |
| Citations |
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