CHEBI:31181 - aklavinone

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ChEBI Name aklavinone
ChEBI ID CHEBI:31181
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C22H20O8
Net Charge 0
Average Mass 412.38940
Monoisotopic Mass 412.11582
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
SMILES CC[C@@]1(O)C[C@H](O)c2c(O)c3C(=O)c4c(O)cccc4C(=O)c3cc2[C@H]1C(=O)OC
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via anthracycline )
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
Aclavinone ChemIDplus
Aklavinon ChEBI
aklavinone UniProt
Aklavinone KEGG COMPOUND
Manual Xref Database
C12424 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
16234-96-1 CAS Registry Number KEGG COMPOUND
16234-96-1 CAS Registry Number ChemIDplus
3041138 Beilstein Registry Number Beilstein
Last Modified
06 March 2015