EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H22N2O2 |
| Net Charge | 0 |
| Average Mass | 310.397 |
| Monoisotopic Mass | 310.16813 |
| SMILES | COc1ccc(CN2[C@@H](CO)[C@@H]3c4ccccc4NC[C@@H]32)cc1 |
| InChI | InChI=1S/C19H22N2O2/c1-23-14-8-6-13(7-9-14)11-21-17-10-20-16-5-3-2-4-15(16)19(17)18(21)12-22/h2-9,17-20,22H,10-12H2,1H3/t17-,18-,19+/m0/s1 |
| InChIKey | UXXSKSIMPYZVFE-GBESFXJTSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [(1R,2aR,8bR)-2-[(4-methoxyphenyl)methyl]-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol (CHEBI:128599) is a aminoquinoline (CHEBI:36709) |
| Manual Xrefs | Databases |
|---|---|
| LSM-40153 | LINCS |