EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:47898 - 4'-epidoxorubicin
| Formula | C27H29NO11 |
| Net Charge | 0 |
| Average Mass | 543.525 |
| Monoisotopic Mass | 543.17406 |
| SMILES | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1 |
| InChI | InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22-,27-/m0/s1 |
| InChIKey | AOJJSUZBOXZQNB-VTZDEGQISA-N |
| Roles Classification |
|---|
| Biological Roles: | EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor A topoisomerase inhibitor that inhibits DNA topoisomerase (ATP-hydrolysing), EC 5.99.1.3 (also known as topoisomerase II and as DNA gyrase), which catalyses ATP-dependent breakage of both strands of DNA, passage of the unbroken strands through the breaks, and rejoining of the broken strands. 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. 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. |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4'-epidoxorubicin (CHEBI:47898) has functional parent doxorubicin (CHEBI:28748) |
| 4'-epidoxorubicin (CHEBI:47898) has role antimicrobial agent (CHEBI:33281) |
| 4'-epidoxorubicin (CHEBI:47898) has role antineoplastic agent (CHEBI:35610) |
| 4'-epidoxorubicin (CHEBI:47898) has role EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor (CHEBI:50750) |
| 4'-epidoxorubicin (CHEBI:47898) is a p-quinones (CHEBI:25830) |
| 4'-epidoxorubicin (CHEBI:47898) is a aminoglycoside (CHEBI:47779) |
| 4'-epidoxorubicin (CHEBI:47898) is a anthracycline (CHEBI:48120) |
| 4'-epidoxorubicin (CHEBI:47898) is a anthracycline antibiotic (CHEBI:49322) |
| 4'-epidoxorubicin (CHEBI:47898) is a deoxy hexoside (CHEBI:35315) |
| 4'-epidoxorubicin (CHEBI:47898) is a monosaccharide derivative (CHEBI:63367) |
| 4'-epidoxorubicin (CHEBI:47898) is a primary α-hydroxy ketone (CHEBI:139590) |
| 4'-epidoxorubicin (CHEBI:47898) is a tertiary α-hydroxy ketone (CHEBI:139592) |
| 4'-epidoxorubicin (CHEBI:47898) is conjugate base of 4'-epidoxorubicinium (CHEBI:41983) |
| Incoming Relation(s) |
| 4'-epidoxorubicinium (CHEBI:41983) is conjugate acid of 4'-epidoxorubicin (CHEBI:47898) |
| IUPAC Name |
|---|
| (1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-α-L-arabino-hexopyranoside |
| INN | Source |
|---|---|
| epirubicin | ChemIDplus |
| Synonyms | Source |
|---|---|
| 4'-Epiadriamycin | ChemIDplus |
| Epiadriamycin | ChemIDplus |
| epirubicine | ChemIDplus |
| pidorubicina | ChemIDplus |
| epirubicina | ChemIDplus |
| pidorubicine | ChemIDplus |
| Citations |
|---|