Summary
SMILES: CN1CCc2c([C@H]1Cc1ccc(cc1)O)cc1c(c2)OCO1InChI: InChI=1S/C18H19NO3/c1-19-7-6-13-9-17-18(22-11-21-17)10-15(13)16(19)8-12-2-4-14(20)5-3-12/h2-5,9-10,16,20H,6-8,11H2,1H3/t16-/m1/s1InChIKey: VTOOEPLHEDZMBL-MRXNPFEDSA-N
DeepSMILES: CNCCcc[C@H]6Ccccccc6))O)))))))cccc6)OCO5
Scaffold Graph/Node/Bond level: c1ccc(CC2NCCc3cc4c(cc32)OCO4)cc1
Scaffold Graph/Node level: C1CCC(CC2NCCC3CC4OCOC4CC32)CC1
Scaffold Graph level: C1CCC(CC2CCCC3CC4CCCC4CC23)CC1
Functional groups: CN(C)C; c1cOCO1; cO
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Organoheterocyclic compoundsClassyFire Class: Isoquinolines and derivatives
ClassyFire Subclass: Benzylisoquinolines
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tyrosine alkaloids
NP Classifier Class: Isoquinoline alkaloids|Tetrahydroisoquinoline alkaloids
Synonymous chemical names:cinnamolaurine
External chemical identifiers:CID:22294346; ZINC:ZINC000014926915; FDASRS:44TZL4WCVS
Chemical structure download