Chem
J-GLOBAL ID：200907088977863494   Nikkaji number：J1.833.101B

Obliquine

オブリキン
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： C26H28N2O5
Molecular formula furigana： C26-H28-N2-O5
Molecular weight： 448.519
InChI： InChI=1S/C26H28N2O5/c1-27-23-12-19(31-2)7-9-26(23)20-13-22-21(32-15-33-22)11-17(20)14-28(24(26)25(27)30)10-8-16-3-5-18(29)6-4-16/h3-7,9,11,13,19,23-24,29H,8,10,12,14-15H2,1-2H3/t19-,23+,24-,26+/m1/s1
InChI key： MNZZTIOCKJEHEP-XVZHEKKHSA-N
SMILES： CO[C@H]1C[C@@H]2N(C)C(=O)[C@H]3N(CCc4ccc(O)cc4)Cc4cc5OCOc5cc4[C@@]23C=C1
Systematic name  (4)：
  • (1S,12S)-2-メチル-4-[2-(4-ヒドロキシフェニル)エチル]-12-メトキシ-3aα,4,5,9b-テトラヒドロ-7,8-(メチレンビスオキシ)-9bα,1α-[1]ブテノ-1H-ピロロ[3,4-c]イソキノリン-3(2H)-オン
  • (8S)-4′β-メトキシ-6-(4-ヒドロキシフェネチル)-6′α-(メチルアミノ)-6,7-ジヒドロスピロ[1,3-ジオキソロ[4,5-g]イソキノリン-8(5H),1′-[2]シクロヘキセン]-7α-カルボン酸ラクタム
  • (1S,13S,16S,18S)-12-[2-(4-ヒドロキシフェニル)エチル]-18-メトキシ-15-メチル-5,7-ジオキサ-12,15-ジアザペンタシクロ[11.7.0.01,16.02,10.04,8]イコサ-2,4(8),9,19-テトラエン-14-オン
  • (1S,13S,16S,18S)-12-[2-(4-hydroxyphenyl)ethyl]-18-methoxy-15-methyl-5,7-dioxa-12,15-diazapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-14-one
Other name (6)：
  • (1S,12S)-2-Methyl-4-[2-(4-hydroxyphenyl)ethyl]-12-methoxy-3aα,4,5,9b-tetrahydro-7,8-(methylenebisoxy)-9bα,1α-[1]buteno-1H-pyrrolo[3,4-c]isoquinoline-3(2H)-one
  • Obliquine
  • オブリキン
  • (8S)-4′β-Methoxy-6-(4-hydroxyphenethyl)-6′α-(methylamino)-6,7-dihydrospiro[1,3-dioxolo[4,5-g]isoquinoline-8(5H),1′-[2]cyclohexene]-7α-carboxylic acid lactam
  • (-)-オブリキン
Show all
KEGG COMPOUND： C12183
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