Summary
SMILES: COc1cc(ccc1OC)C[C@H]1c2cc3OCOc3cc2CC[N+]1(C)CInChI: InChI=1S/C21H26NO4/c1-22(2)8-7-15-11-20-21(26-13-25-20)12-16(15)17(22)9-14-5-6-18(23-3)19(10-14)24-4/h5-6,10-12,17H,7-9,13H2,1-4H3/q+1/t17-/m0/s1InChIKey: MUXHEYZUYGHZLN-KRWDZBQOSA-N
DeepSMILES: COcccccc6OC)))))C[C@H]cccOCOc5cc9CC[N+]%13C)C
Scaffold Graph/Node/Bond level: c1ccc(CC2[NH2+]CCc3cc4c(cc32)OCO4)cc1
Scaffold Graph/Node level: C1CCC(CC2NCCC3CC4OCOC4CC32)CC1
Scaffold Graph level: C1CCC(CC2CCCC3CC4CCCC4CC23)CC1
Functional groups: C[N+](C)(C)C; c1cOCO1; 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
Synonymous chemical names:escholinine
External chemical identifiers:CID:101036655; ZINC:ZINC000014687866
Chemical structure download