Summary
SMILES: CN1CCc2c3[C@H]1Cc1ccccc1-c3c1c(c2)OCO1InChI: InChI=1S/C18H17NO2/c1-19-7-6-12-9-15-18(21-10-20-15)17-13-5-3-2-4-11(13)8-14(19)16(12)17/h2-5,9,14H,6-8,10H2,1H3/t14-/m1/s1InChIKey: JCTYWRARKVGOBK-CQSZACIVSA-N
DeepSMILES: CNCCcc[C@H]6Ccccccc6-c%10ccc%14)OCO5
Scaffold Graph/Node/Bond level: c1ccc2c(c1)CC1NCCc3cc4c(c-2c31)OCO4
Scaffold Graph/Node level: C1CCC2C(C1)CC1NCCC3CC4OCOC4C2C31
Scaffold Graph level: C1CCC2C(C1)CC1CCCC3CC4CCCC4C2C13
Functional groups: CN(C)C; c1cOCO1
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Alkaloids and derivativesClassyFire Class: Aporphines
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tyrosine alkaloids
NP Classifier Class: Aporphine alkaloids|Isoquinoline alkaloids
Synonymous chemical names:(r)-roemerine, remerin, remerine, roemerin, roemerine
External chemical identifiers:CID:119204; ChEMBL:CHEMBL483825; ZINC:ZINC000000306698; SureChEMBL:SCHEMBL17906539
Chemical structure download