Chem
J-GLOBAL ID:200907095648601418   Nikkaji number:J394.763G

Dynemicin A

ジネミシンA
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: C30H19NO9
Molecular formula furigana: C30-H19-N-O9
Molecular weight: 537.480
InChI: InChI=1S/C30H19NO9/c1-12-19(28(37)38)27(39-2)13-7-5-3-4-6-8-18-29(12)30(13,40-29)14-11-17(34)22-23(24(14)31-18)26(36)21-16(33)10-9-15(32)20(21)25(22)35/h3-4,9-13,18,31-34H,1-2H3,(H,37,38)/t12-,13+,18-,29-,30+/m0/s1
InChI key: AFMYMMXSQGUCBK-NIHMTDANSA-N
SMILES: COC1=C([C@H](C)[C@@]23O[C@]42[C@@H]1C#CC=CC#C[C@@H]3Nc1c4cc(O)c2C(=O)c3c(O)ccc(O)c3C(=O)c12)C(=O)O
Systematic name  (4):
  • (1S,4R,4aR,14S,14aS)-1,4,7,12,13,14-ヘキサヒドロ-6,8,11-トリヒドロキシ-3-メトキシ-1-メチル-7,12-ジオキソ-4a,14a-エポキシ-4,14-(3-ヘキセン-1,5-ジイン-1,6-ジイル)ナフト[2,3-c]フェナントリジン-2-カルボン酸
  • (1S,4R,4aR,14S,14aS)-1,4,4a,7,12,13,14,14a-オクタヒドロ-6,8,11-トリヒドロキシ-3-メトキシ-1-メチル-7,12-ジオキソ-4a,14a-エポキシ-4,14-(3-ヘキセン-1,5-ジイン-1,6-ジイル)ナフト[2,3-c]フェナントリジン-2-カルボン酸
  • (2R,4S,5S,8R,15S)-21,24,28-トリヒドロキシ-7-メトキシ-5-メチル-19,26-ジオキソ-3-オキサ-16-アザヘプタシクロ[15.12.0.02,4.02,8.04,15.018,27.020,25]ノナコサ-1(17),6,11,18(27),20,22,24,28-オクタエン-9,13-ジイン-6-カルボン酸
  • (2R,4S,5S,8R,15S)-21,24,28-trihydroxy-7-methoxy-5-methyl-19,26-dioxo-3-oxa-16-azaheptacyclo[15.12.0.02,4.02,8.04,15.018,27.020,25]nonacosa-1(17),6,11,18(27),20,22,24,28-octaen-9,13-diyne-6-carboxylic acid
Other name (8):
  • ジネミシンA
  • Dynemicin A
  • ジネマイシンA
  • ダイネミシンA
  • (1S,4R,4aR,14S,14aS)-1,4,4a,7,12,13,14,14a-Octahydro-6,8,11-trihydroxy-3-methoxy-1-methyl-7,12-dioxo-4a,14a-epoxy-4,14-(3-hexene-1,5-diyne-1,6-diyl)naphtho[2,3-c]phenanthridine-2-carboxylic acid
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CAS registry number: 124412-57-3
KEGG COMPOUND: C11471
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