EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H21NO |
| Net Charge | 0 |
| Average Mass | 291.394 |
| Monoisotopic Mass | 291.16231 |
| SMILES | N[C@]1(C(=O)c2ccccc2)[C@@H]2CC[C@@H](C2)[C@H]1c1ccccc1 |
| InChI | InChI=1S/C20H21NO/c21-20(19(22)15-9-5-2-6-10-15)17-12-11-16(13-17)18(20)14-7-3-1-4-8-14/h1-10,16-18H,11-13,21H2/t16-,17+,18+,20+/m0/s1 |
| InChIKey | XJQDTOANLAPEIM-JRBPQWBISA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Role: | epitope The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-endo-amino-2-exo-benzoyl-3-exo-phenylnorbornane (CHEBI:71545) has parent hydride norbornane (CHEBI:71546) |
| 2-endo-amino-2-exo-benzoyl-3-exo-phenylnorbornane (CHEBI:71545) has role epitope (CHEBI:53000) |
| 2-endo-amino-2-exo-benzoyl-3-exo-phenylnorbornane (CHEBI:71545) is a aromatic ketone (CHEBI:76224) |
| 2-endo-amino-2-exo-benzoyl-3-exo-phenylnorbornane (CHEBI:71545) is a primary amino compound (CHEBI:50994) |
| IUPAC Name |
|---|
| [(1R,2R,3S,4S)-2-amino-3-phenylbicyclo[2.2.1]hept-2-yl](phenyl)methanone |
| Synonym | Source |
|---|---|
| (1R,2R,3S,4S)-2-benzoyl-3-phenylbicyclo[2.2.1]heptan-2-amine | DrugBank |
| Manual Xrefs | Databases |
|---|---|
| DB07883 | DrugBank |
| Citations |
|---|