Summary
SMILES: COc1cc2CN3CCc4c([C@@H]3Cc2c(c1OC)CO)c(OC)c1c(c4)OCO1InChI: InChI=1S/C22H25NO6/c1-25-17-7-13-9-23-5-4-12-6-18-21(29-11-28-18)22(27-3)19(12)16(23)8-14(13)15(10-24)20(17)26-2/h6-7,16,24H,4-5,8-11H2,1-3H3/t16-/m0/s1InChIKey: RJZGHQFMKACAHM-INIZCTEOSA-N
DeepSMILES: COcccCNCCcc[C@@H]6Cc%10cc%14OC)))CO))))))cOC))ccc6)OCO5
Scaffold Graph/Node/Bond level: c1ccc2c(c1)CC1c3cc4c(cc3CCN1C2)OCO4
Scaffold Graph/Node level: C1CCC2CN3CCC4CC5OCOC5CC4C3CC2C1
Scaffold Graph level: C1CCC2CC3C(CCC4CC5CCCC5CC43)CC2C1
Functional groups: CN(C)C; CO; c1cOCO1; cOC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Alkaloids and derivativesClassyFire Class: Protoberberine alkaloids and derivatives
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tyrosine alkaloids
NP Classifier Class: Isoquinoline alkaloids|Protoberberine alkaloids
Synonymous chemical names:mecambridine
External chemical identifiers:CID:161692
Chemical structure download