EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C23H20N4O6 |
| Net Charge | 0 |
| Average Mass | 448.435 |
| Monoisotopic Mass | 448.13828 |
| SMILES | N#CC(=Cc1ccc(O)c(O)c1)C(=O)NCCCNC(=O)C(C#N)=Cc1ccc(O)c(O)c1 |
| InChI | InChI=1S/C23H20N4O6/c24-12-16(8-14-2-4-18(28)20(30)10-14)22(32)26-6-1-7-27-23(33)17(13-25)9-15-3-5-19(29)21(31)11-15/h2-5,8-11,28-31H,1,6-7H2,(H,26,32)(H,27,33) |
| InChIKey | ZHOKHSGWBNPFQU-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-cyano-N-[3-[[2-cyano-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enyl]amino]propyl]-3-(3,4-dihydroxyphenyl)-2-propenamide (CHEBI:92572) is a hydroxycinnamic acid (CHEBI:24689) |
| Manual Xrefs | Databases |
|---|---|
| LSM-2718 | LINCS |