aclacinomycin A
An anthracycline antibiotic that is produced by Streptomyces galilaeus and also has potent antineoplastic activity.
Exact Synonyms
methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-4-O-{2,6-dideoxy-4-O-[(2R,6S)-6-methyl-5-oxotetrahydro-2H-pyran-2-yl]-alpha-L-lyxo-hexopyranosyl}-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
Related Synonyms
aclarubicina
aclarubicin
aclarubicine
aclarubicinum
MA 144-A1
class Information
charge
0
formula
C42H53NO15
has_dbxref
- CAS:57576-44-0
- Drug_Central:80
- KEGG:C18638
- KEGG:D02756
- KEGG:G09914
- MetaCyc:CPD-12960
- PMID:19626543
- PMID:19744710
- PMID:20047095
- PMID:20399885
- PMID:20855424
- PMID:21130493
- PMID:21939347
- PMID:22077238
- PMID:22082134
- PMID:22374527
- PMID:22493369
- PMID:23418619
- PMID:23432721
- PMID:23533247
- PMID:23537708
- PMID:23595277
- PMID:23602475
- PMID:23613979
- PMID:23616245
- PMID:23664707
- Reaxys:4901152
- Wikipedia:Aclarubicin
has_obo_namespace
chebi_ontology
inchi
InChI=1S/C42H53NO15/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29/h9-11,14,18-20,24,27-31,35,39-40,45-46,49,51H,8,12-13,15-17H2,1-7H3/t18-,19-,20-,24-,27-,28-,29-,30-,31-,35-,39+,40+,42+/m0/s1
inchikey
USZYSDMBJDPRIF-SVEJIMAYSA-N
in_subset
mass
811.86790
monoisotopicmass
811.34152
smiles
CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)N(C)C)c2c(O)c3C(=O)c4c(O)cccc4C(=O)c3cc2[C@H]1C(=O)OC
class Relations
Subclass of
- methyl ester
- polyketide
- phenols
- aminoglycoside
- anthracycline
- tetracenequinones
- trisaccharide derivative
- has rolerosomeantimicrobial agent
- has rolerosomeantineoplastic agent
- has rolerosomeEC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
- has rolerosomeapoptosis inducer
- has rolerosomebacterial metabolite
- has functional parentsomeaklavinone
- is conjugate base ofsomeaclacinomycin A(1+)
- is tautomer ofsomeaclacinomycin A zwitterion