EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:749146 - e-6201
| Formula | C21H27NO6 |
| Net Charge | 0 |
| Average Mass | 389.448 |
| Monoisotopic Mass | 389.18384 |
| SMILES | CCNc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@@H](C)[C@H](C)OC2=O |
| InChI | InChI=1S/C21H27NO6/c1-4-22-15-10-14-6-5-7-16(23)20(26)17(24)9-8-12(2)13(3)28-21(27)19(14)18(25)11-15/h5-6,8-13,16,20,22-23,25-26H,4,7H2,1-3H3/b6-5+,9-8-/t12-,13+,16+,20+/m1/s1 |
| InChIKey | MWUFVYLAWAXDHQ-HMNLTAHHSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Applications: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. antipsoriatic A drug used to treat psoriasis. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| e-6201 (CHEBI:749146) has role antineoplastic agent (CHEBI:35610) |
| e-6201 (CHEBI:749146) has role antipsoriatic (CHEBI:50748) |
| e-6201 (CHEBI:749146) is a secondary amine (CHEBI:32863) |
| Synonyms | Source |
|---|---|
| E-6201 | ChEMBL |
| E6201 | ChEMBL |
| ER-806201 | ChEMBL |
| Citations |
|---|