EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:42068 - idarubicin
| Formula | C26H27NO9 |
| Net Charge | 0 |
| Average Mass | 497.500 |
| Monoisotopic Mass | 497.16858 |
| SMILES | CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O |
| InChI | InChI=1S/C26H27NO9/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31/h3-6,10,15-17,21,29,32-34H,7-9,27H2,1-2H3/t10-,15-,16-,17-,21+,26-/m0/s1 |
| InChIKey | XDXDZDZNSLXDNA-TZNDIEGXSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Biological Roles: | antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. 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. |
| Applications: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. anti-anaemic agent A compound which increases either the number of red cells or the amount of haemoglobin in the blood. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| idarubicin (CHEBI:42068) has parent hydride tetracene (CHEBI:32600) |
| idarubicin (CHEBI:42068) has role anti-anaemic agent (CHEBI:75835) |
| idarubicin (CHEBI:42068) has role antineoplastic agent (CHEBI:35610) |
| idarubicin (CHEBI:42068) is a anthracycline antibiotic (CHEBI:49322) |
| idarubicin (CHEBI:42068) is a deoxy hexoside (CHEBI:35315) |
| idarubicin (CHEBI:42068) is a monosaccharide derivative (CHEBI:63367) |
| IUPAC Name |
|---|
| (1S,3S)-3-acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranoside |
| INNs | Source |
|---|---|
| idarubicina | WHO MedNet |
| idarubicine | WHO MedNet |
| Synonyms | Source |
|---|---|
| (1S,3S)-3-acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydronaphthacen-1-yl 3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranoside | ChEBI |
| 4-Demethoxydaunomycin | ChemIDplus |
| 4-Demethoxydaunorubicin | ChemIDplus |
| 5,12-Naphthacenedione, 9-acetyl-7-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,9,11-trihydroxy-, (7S-cis)- | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| 1414 | DrugCentral |
| DB01177 | DrugBank |
| Idarubicin | Wikipedia |
| LSM-5769 | LINCS |
| Registry Numbers | Sources |
|---|---|
| Beilstein:3641270 | Beilstein |
| CAS:58957-92-9 | ChemIDplus |
| Citations |
|---|