Compound: Carubicin
SMILES: O=C1c2c(O)c3c(C[C@@](O)(C(=O)C)C[C@@H]3O[C@@H]4O[C@H]([C@@H](O)[C@H](C4)N)C)c(c2C(=O)c5c1c(O)ccc5)O
InChIKey: XREUEWVEMYWFFA-CSKJXFQVSA-N
Synonyms: Carubicin, Carminomycin, Carminomicin I, Carminomycin I, Carubicina, Carubicine, KARMINOMYCIN, Carubicin [INN], Carubicinum, Karminomitsin, Carubicine [INN-French], Carubicinum [INN-Latin], Carubicina [INN-Spanish], CCRIS 6185, DTXSID3022742, CHEBI:31359, UNII-E7437K3983, CARUBICIN [MI], Carminomicin, DTXCID602742, E7437K3983, (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione, Carubicine (INN-French), Carubicinum (INN-Latin), Carubicina (INN-Spanish), (1S,3S)-3-Acetyl-1,2,3,4,6,11-hexahydro-3,5,10,12-tetrahydroxy-6,11-dioxo-1-naphthacenyl-3-amino-2,3,6-tridesoxy-alpha-L-lyxo-hexopyranosid, (1S,3S)-3-acetyl-3,5,10,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside, (1S,3S)-3-ACETYL-1,2,3,4,6,11-HEXAHYDRO-3,5,10,12-TETRAHYDROXY-6,11-DIOXO-1-NAPHTHACENYL 3-AMINO-2,3,6-TRIDEOXY-.ALPHA.-L-LYXO-HEXOPYRANOSIDE, 5,12-NAPHTHACENEDIONE, 8-ACETYL-10-((3-AMINO-2,3,6-TRIDEOXY-.ALPHA.-L-LYXO-HEXOPYRANOSYL)OXY)-7,8,9,10-TETRAHYDRO-1,6,8,11-TETRAHYDROXY-, (8S-CIS)-, 5,12-Naphthacenedione, 8-acetyl-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-, (8S-cis)-, Karminomicin, Demethyldaunomycin, Demethyldaunorubicin, (7S,9S)-9-acetyl-7-((2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione, (8s,10s)-8-acetyl-10-((4-amino-5-hydroxy-6-methyloxan-2-yl)oxy)-1,6,8,11-tetrahydroxy-9,10-dihydro-7h-tetracene-5,12-dione, (8s,10s)-8-acetyl-10-[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-1,6,8,11-tetrahydroxy-9,10-dihydro-7h-tetracene-5,12-dione, (8S-cis)-acetyl-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-5,12-naphthacenedione, (8S-cis)-acetyl-10-[(3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-5,12-naphthacenedione, 5,12-naphthacenedione, 8-acetyl-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-1,6,8,11-tetra-hydroxy-(8S-cis)-(8CI 9CI), 5,12-naphthacenedione, 8-acetyl-10-[(3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-1,6,8,11-tetra-hydroxy-(8S-cis)-(8CI 9CI), 8-acetyl-10-((4-amino-5-(3-hydroxy-1-((1-hydroxypropan-2-yl)oxy)butoxy)-6-methyloxan-2-yl)oxy)-1,6,8,11-tetrahydroxy-9,10-dihydro-7h-tetracene-5,12-dione, 8-acetyl-10-[(4-amino-5-{3-hydroxy-1-[(1-hydroxypropan-2-yl)oxy]butoxy}-6-methyloxan-2-yl)oxy]-1,6,8,11-tetrahydroxy-9,10-dihydro-7h-tetracene-5,12-dione, CARMINOMYCIN III, Hydrochloride, Carubicin, 4-O-demethyldaunorubicin, RefChem:123835, NSC-180,024, (1S,3S)-3-ACETYL-1,2,3,4,6,11-HEXAHYDRO-3,5,10,12-TETRAHYDROXY-6,11-DIOXO-1-NAPHTHACENYL 3-AMINO-2,3,6-TRIDEOXY-ALPHA-L-LYXO-HEXOPYRANOSIDE, (2S,3S)-3-acetyl-1,2,3,4,6,11-hexahydro-3,5,10,12-tetrahydroxy-6,11-dioxo-1-naphthacenyl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside, 5,12-Naphthacenedione, 8-acetyl-10-((3-amino-2,3, 6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9, 10-tetrahydro-1,6,8,11-tetra-hydroxy-(8S-cis)-(8CI 9CI), 5,12-naphthacenedione, 8-acetyl-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-1,6,8,11-tetra-hydroxy-,(8S-cis)-(8CI)-, 5,12-Naphthacenedione, 8-acetyl-10-[(3-amino-2,3, 6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9, 10-tetrahydro-1,6,8,11-tetra-hydroxy-(8S-cis)-(8CI 9CI), 5,12-naphthacenedione, 8-acetyl-10-[(3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-1,6,8,11-tetra-hydroxy-,(8S-cis)-(8CI)-(9CI), 50935-04-1, 39472-31-6, O-Demethyldaunomycin, CCRIS 961, NSC-180024, (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione, NCGC00159344-02, (8S,10S)-8-acetyl-10-(((2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-1,6,8,11-tetrahydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione, 5,12-Naphthacenedione,8-acetyl-10-[(3-amino-2,3,6-trideoxy-a-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-, (8S,10S)-, CAS-50935-04-1, C26H27NO10, Carubicin?, NCGC00160675-01, 50935-04-1 (free base), MFCD00866280, Carminomycin; Carubicin, Antibiotic R 588A; Carminomicin I; Carminomycin I, DSSTox_CID_2742, SCHEMBL9552, DSSTox_RID_76711, DSSTox_GSID_22742, CHEMBL474260, orb1705128, SCHEMBL29362266, GLXC-07977, EX-A2244, HY-B2171, Tox21_111589, Tox21_111978, BDBM50103635, AKOS040744813, CS-0021097, NS00011901, Carminomycin, O-Demethyldaunomycin, CCRIS 961, H56920, Q5047474, Idarubicin Impurity 4; 4-Demethyl Daunorubicin(Carubicin), 5,12-Naphthacenedione, 8-acetyl-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-, (8S,10S)-
Theoretical properties:
molecular_formula: C26H27NO10
molecular_weight: 513.5 g/mol
exact_mass: 513.16349606 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 6
hydrogen_bond_acceptor_count: 11
rotatable_bond_count: 3
heavy_atom_count: 37
topological_polar_surface_area: 197 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Carminomycin is a toxic anthracycline antibiotic that is produced by Actinomadura carminata and also has potent antineoplastic activity. It has a role as an antineoplastic agent and an apoptosis inducer. It is a tertiary alpha-hydroxy ketone, an aminoglycoside antibiotic, a member of p-quinones, an anthracycline antibiotic and a member of tetracenequinones. It is a conjugate base of a carminomycin(1+). It derives from a hydride of a tetracene.
chebi: A toxic anthracycline antibiotic that is produced by <em>Actinomadura carminata</em> and also has potent antineoplastic activity.
chembl: CARUBICIN is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Carubicin is an anthracycline.