Chem
J-GLOBAL ID：200907065217724168   Nikkaji number：J2.769.800J

Cularicine

クラリシン
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： C18H17NO4
Molecular formula furigana： C18-H17-N-O4
Molecular weight： 311.337
InChI： InChI=1S/C18H17NO4/c1-19-5-4-10-2-3-13(20)18-17(10)12(19)6-11-7-15-16(22-9-21-15)8-14(11)23-18/h2-3,7-8,12,20H,4-6,9H2,1H3/t12-/m0/s1
InChI key： RUNKBNVIYGVBMW-LBPRGKRZSA-N
SMILES： CN1CCc2ccc(O)c3Oc4cc5OCOc5cc4C[C@H]1c23
Systematic name  (3)：
  • (13aS)-2,3,13,13a-テトラヒドロ-1-メチル-1H-[1,3]ジオキソロ[7,8][1]ベンゾオキセピノ[2,3,4-ij]イソキノリン-6-オール
  • (13S)-14-メチル-2,6,8-トリオキサ-14-アザペンタシクロ[11.7.1.03,11.05,9.017,21]ヘンイコサ-1(21),3,5(9),10,17,19-ヘキサエン-20-オール
  • (13S)-14-methyl-2,6,8-trioxa-14-azapentacyclo[11.7.1.03,11.05,9.017,21]henicosa-1(21),3,5(9),10,17,19-hexaen-20-ol
Other name (3)：
  • (13aS)-2,3,13,13a-Tetrahydro-1-methyl-1H-[1,3]dioxolo[7,8][1]benzooxepino[2,3,4-ij]isoquinoline-6-ol
  • Cularicine
  • クラリシン
CAS registry number： 2271-08-1
KEGG COMPOUND： C09398
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