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SLX

Summary
Name:(13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol
Synonyms:(S)-scoulerine
Formula:C19 H21 N O4
Formal charge:0
Formula weight:327.374 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol
OpenEye OEToolkits1.5.0(7R,13aS)-3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9-diol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Oc1c4c(ccc1OC)CC3c2c(cc(OC)c(O)c2)CCN3C4
SMILES_CANONICALCACTVS3.341COc1ccc2C[C@@H]3N(CCc4cc(OC)c(O)cc34)Cc2c1O
SMILESCACTVS3.341COc1ccc2C[CH]3N(CCc4cc(OC)c(O)cc34)Cc2c1O
SMILES_CANONICALOpenEye OEToolkits1.5.0COc1ccc2c(c1O)C[N@]3CCc4cc(c(cc4[C@@H]3C2)O)OC
SMILESOpenEye OEToolkits1.5.0COc1ccc2c(c1O)CN3CCc4cc(c(cc4C3C2)O)OC
InChIInChI1.03InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1
InChIKeyInChI1.03KNWVMRVOBAFFMH-HNNXBMFYSA-N

217705

PDB entries from 2024-03-27

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