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CHEBI:66124 - jerantinine F
| Formula | C22H26N2O5 |
| Net Charge | 0 |
| Average Mass | 398.459 |
| Monoisotopic Mass | 398.18417 |
| SMILES | [H][C@]12N3CC[C@]4([H])OCC[C@]14CC(C(=O)OC)=C1Nc4cc(OC)c(O)cc4[C@@]12CC3 |
| InChI | InChI=1S/C22H26N2O5/c1-27-16-10-14-13(9-15(16)25)22-4-7-24-6-3-17-21(20(22)24,5-8-29-17)11-12(18(22)23-14)19(26)28-2/h9-10,17,20,23,25H,3-8,11H2,1-2H3/t17-,20-,21+,22-/m0/s1 |
| InChIKey | LZVMXRSCSWSPDH-MVWVFHAYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Tabernaemontana corymbosa (IPNI:82070-1) | leaf (BTO:0000713) | PubMed (18778099) |
| 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) |
| jerantinine F (CHEBI:66124) has role antineoplastic agent (CHEBI:35610) |
| jerantinine F (CHEBI:66124) has role metabolite (CHEBI:25212) |
| jerantinine F (CHEBI:66124) is a alkaloid ester (CHEBI:38481) |
| jerantinine F (CHEBI:66124) is a aromatic ether (CHEBI:35618) |
| jerantinine F (CHEBI:66124) is a indole alkaloid (CHEBI:38958) |
| jerantinine F (CHEBI:66124) is a methyl ester (CHEBI:25248) |
| jerantinine F (CHEBI:66124) is a organic heterohexacyclic compound (CHEBI:51914) |
| jerantinine F (CHEBI:66124) is a phenols (CHEBI:33853) |
| IUPAC Name |
|---|
| methyl (5α,6α,12β,19α)-15-hydroxy-16-methoxy-2,3-didehydro-6,21-epoxyaspidospermidine-3-carboxylate |
| Registry Numbers | Sources |
|---|---|
| Reaxys:19172525 | Reaxys |
| Citations |
|---|