Chem
J-GLOBAL ID：200907054793248230   Nikkaji number：J14.798B

Tubulosine

ツブロシン
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： C29H37N3O3
Molecular formula furigana： C29-H37-N3-O3
Molecular weight： 475.633
InChI： InChI=1S/C29H37N3O3/c1-4-17-16-32-10-8-18-13-27(34-2)28(35-3)15-22(18)26(32)12-19(17)11-25-29-21(7-9-30-25)23-14-20(33)5-6-24(23)31-29/h5-6,13-15,17,19,25-26,30-31,33H,4,7-12,16H2,1-3H3/t17-,19-,25+,26-/m0/s1
InChI key： JRVWIILYWSBUMC-PRUVNFMMSA-N
SMILES： CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2c1[nH]c1ccc(O)cc21
Systematic name  (3)：
  • 10,11-ジメトキシツブロサン-8′-オール
  • (1R)-1-{[(2S,3R,11bS)-3-エチル-9,10-ジメトキシ-1H,2H,3H,4H,6H,7H,11bH-ピリド[2,1-a]イソキノリン-2-イル]メチル}-1H,2H,3H,4H,9H-ピリド[3,4-b]インドール-6-オール
  • (1R)-1-{[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-1H,2H,3H,4H,6H,7H,11bH-pyrido[2,1-a]isoquinolin-2-yl]methyl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-6-ol
Other name (3)：
  • ツブロシン
  • Tubulosine
  • 10,11-Dimethoxytubulosan-8′-ol
CAS registry number： 2632-29-3
KEGG COMPOUND： C09248
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