Summary
SMILES: COc1ccc(cc1O)C[C@@H]1N(C)CCc2c1cc(O)c(c2)OCInChI: InChI=1S/C19H23NO4/c1-20-7-6-13-10-19(24-3)17(22)11-14(13)15(20)8-12-4-5-18(23-2)16(21)9-12/h4-5,9-11,15,21-22H,6-8H2,1-3H3/t15-/m0/s1InChIKey: BHLYRWXGMIUIHG-HNNXBMFYSA-N
DeepSMILES: COcccccc6O)))C[C@@H]NC)CCcc6ccO)cc6)OC
Scaffold Graph/Node/Bond level: c1ccc(CC2NCCc3ccccc32)cc1
Scaffold Graph/Node level: C1CCC(CC2NCCC3CCCCC32)CC1
Scaffold Graph level: C1CCC(CC2CCCC3CCCCC32)CC1
Functional groups: CN(C)C; cO; cOC
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:(+)-reticuline, (+)reticuline, (s)-reticuline, +-reticuline, l(+)-reticuline, reticuline, reticuline, (+), reticuline,(+)
External chemical identifiers:CID:439653; ChEMBL:CHEMBL235212; ChEBI:16718; ZINC:ZINC000000895630; FDASRS:X35Z551WT4; SureChEMBL:SCHEMBL147597; MolPort-005-981-212
Chemical structure download