Chem
J-GLOBAL ID：200907005460034070   Nikkaji number：J34.122C

Nogalamycin

ノガラマイシン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C39H49NO16
Molecular formula furigana： C39-H49-N-O16
Molecular weight： 787.812
InChI： InChI=1S/C39H49NO16/c1-14-32(49-7)39(4,52-10)33(50-8)36(53-14)54-19-13-37(2,48)24(34(47)51-9)15-11-16-21(27(43)20(15)19)28(44)22-18(41)12-17-30(23(22)26(16)42)55-35-29(45)25(40(5)6)31(46)38(17,3)56-35/h11-12,14,19,24-25,29,31-33,35-36,41,43,45-46,48H,13H2,1-10H3/t14-,19-,24-,25-,29-,31+,32-,33-,35+,36-,37-,38+,39+/m0/s1
InChI key： KGTDRFCXGRULNK-JYOBTZKQSA-N
SMILES： CO[C@H]1[C@H](C)O[C@@H](O[C@H]2C[C@](C)(O)[C@H](C(=O)OC)c3cc4C(=O)c5c6O[C@@H]7O[C@@](C)([C@H](O)[C@H]([C@@H]7O)N(C)C)c6cc(O)c5C(=O)c4c(O)c23)[C@H](OC)[C@]1(C)OC
Systematic name  (4)：
  • (2R)-11β-[(6-デオキシ-3-C-メチル-2-O,3-O,4-O-トリメチル-α-L-マンノピラノシル)オキシ]-4α-(ジメチルアミノ)-3,4,5,6,9,11,12,13,14,16-デカヒドロ-3β,5β,8,10,13α-ペンタヒドロキシ-6,13-ジメチル-9,16-ジオキソ-2α,6α-エポキシ-2H-ナフタセノ[1,2-b]オキソシン-14α-カルボン酸メチル
  • 11β-[(6-デオキシ-3-C-メチル-2-O,3-O,4-O-トリメチル-α-L-マンノピラノシル)オキシ]-4α-(ジメチルアミノ)-3,4,5,6,9,11,12,13,14,16-デカヒドロ-3β,5β,8,10,13α-ペンタヒドロキシ-6,13-ジメチル-9,16-ジオキソ-2α,6α-エポキシ-2H-ナフタセノ[1,2-b]オキソシン-14α-カルボン酸メチル
  • メチル (1R,10S,12S,13R,21R,22S,23R,24R)-23-(ジメチルアミノ)-4,8,12,22,24-ペンタヒドロキシ-1,12-ジメチル-6,17-ジオキソ-10-{[(2R,3R,4R,5S,6S)-3,4,5-トリメトキシ-4,6-ジメチルオキサン-2-イル]オキシ}-20,25-ジオキサヘキサシクロ[19.3.1.02,19.05,18.07,16.09,14]ペンタコサ-2,4,7(16),8,14,18-ヘキサエン-13-カルボキシラート
  • methyl (1R,10S,12S,13R,21R,22S,23R,24R)-23-(dimethylamino)-4,8,12,22,24-pentahydroxy-1,12-dimethyl-6,17-dioxo-10-{[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-4,6-dimethyloxan-2-yl]oxy}-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2,4,7(16),8,14,18-hexaene-13-carboxylate
Other name (7)：
  • ノガラマイシン
  • V-15167
  • NSC-70845
  • Nogalamycin
  • 11β-[(6-Deoxy-3-C-methyl-2-O,3-O,4-O-trimethyl-α-L-mannopyranosyl)oxy]-4α-(dimethylamino)-3,4,5,6,9,11,12,13,14,16-decahydro-3β,5β,8,10,13α-pentahydroxy-6,13-dimethyl-9,16-dioxo-2α,6α-epoxy-2H-naphthaceno[1,2-b]oxocin-14α-carboxylic acid methyl ester
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CAS registry number： 1404-15-5
KEGG DRUG： D05198
Application (1)：
anthracycline antibiotics
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