EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:5724 - hippeastrine
| Formula | C17H17NO5 |
| Net Charge | 0 |
| Average Mass | 315.325 |
| Monoisotopic Mass | 315.11067 |
| SMILES | [H][C@@]12c3cc4c(cc3C(=O)O[C@]1([H])[C@@H](O)C=C1CCN(C)[C@]12[H])OCO4 |
| InChI | InChI=1S/C17H17NO5/c1-18-3-2-8-4-11(19)16-14(15(8)18)9-5-12-13(22-7-21-12)6-10(9)17(20)23-16/h4-6,11,14-16,19H,2-3,7H2,1H3/t11-,14-,15+,16+/m0/s1 |
| InChIKey | DGQPIOQRPAGNGB-DANNLKNASA-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) |
| hippeastrine (CHEBI:5724) has role antineoplastic agent (CHEBI:35610) |
| hippeastrine (CHEBI:5724) has role metabolite (CHEBI:25212) |
| hippeastrine (CHEBI:5724) is a indole alkaloid (CHEBI:38958) |
| hippeastrine (CHEBI:5724) is a organic heteropentacyclic compound (CHEBI:38164) |
| hippeastrine (CHEBI:5724) is a secondary alcohol (CHEBI:35681) |
| hippeastrine (CHEBI:5724) is a δ-lactone (CHEBI:18946) |
| IUPAC Name |
|---|
| (5S,5aS,12bS,12cS)-5-hydroxy-1-methyl-2,3,5,5a,12b,12c-hexahydro[1,3]dioxolo[6,7]isochromeno[3,4-g]indol-7(1H)-one |
| Citations |
|---|