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CHEBI:31181 - aklavinone
| Formula | C22H20O8 |
| Net Charge | 0 |
| Average Mass | 412.394 |
| Monoisotopic Mass | 412.11582 |
| SMILES | CC[C@@]1(O)C[C@H](O)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC |
| InChI | InChI=1S/C22H20O8/c1-3-22(29)8-13(24)15-10(17(22)21(28)30-2)7-11-16(20(15)27)19(26)14-9(18(11)25)5-4-6-12(14)23/h4-7,13,17,23-24,27,29H,3,8H2,1-2H3/t13-,17-,22+/m0/s1 |
| InChIKey | RACGRCLGVYXIAO-YOKWENHESA-N |
| Roles Classification |
|---|
| Biological Role: | 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) |
| aklavinone (CHEBI:31181) has role antineoplastic agent (CHEBI:35610) |
| aklavinone (CHEBI:31181) is a anthracycline (CHEBI:48120) |
| aklavinone (CHEBI:31181) is a methyl ester (CHEBI:25248) |
| aklavinone (CHEBI:31181) is a tertiary alcohol (CHEBI:26878) |
| aklavinone (CHEBI:31181) is a tetracenequinones (CHEBI:51286) |
| Incoming Relation(s) |
| 15-demethylaclacinomycin T (CHEBI:74620) has functional parent aklavinone (CHEBI:31181) |
| 2-deoxy-α-L-fucosylaclacinomycin S (CHEBI:79297) has functional parent aklavinone (CHEBI:31181) |
| 4-O-methylrhodomycin D (CHEBI:77179) has functional parent aklavinone (CHEBI:31181) |
| aclacinomycin A (CHEBI:74619) has functional parent aklavinone (CHEBI:31181) |
| aclacinomycin N (CHEBI:75091) has functional parent aklavinone (CHEBI:31181) |
| aclacinomycin S (CHEBI:79176) has functional parent aklavinone (CHEBI:31181) |
| aclacinomycin T (CHEBI:74351) has functional parent aklavinone (CHEBI:31181) |
| aclacinomycin Y (CHEBI:75093) has functional parent aklavinone (CHEBI:31181) |
| rhodomycin D (CHEBI:32096) has functional parent aklavinone (CHEBI:31181) |
| IUPAC Name |
|---|
| methyl (1R,2R,4S)-2-ethyl-2,4,5,7-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate |
| Synonyms | Source |
|---|---|
| Aclavinone | ChemIDplus |
| Aklavinon | ChEBI |
| Aklavinone | KEGG COMPOUND |
| UniProt Name | Source |
|---|---|
| aklavinone | UniProt |
| Manual Xrefs | Databases |
|---|---|
| C12424 | KEGG COMPOUND |
| Registry Numbers | Sources |
|---|---|
| Beilstein:3041138 | Beilstein |
| CAS:16234-96-1 | KEGG COMPOUND |
| CAS:16234-96-1 | ChemIDplus |