Summary
IMPPAT Phytochemical identifier: IMPHY002774
Phytochemical name: Isocorydine
Synonymous chemical names:(+)-isocorydine, isocorydine
External chemical identifiers:CID:10143, ChEMBL:CHEMBL489525, ChEBI:6000, ZINC:ZINC000000056792, FDASRS:3B5E87JEOX, SureChEMBL:SCHEMBL679908, MolPort-001-728-104
Chemical structure information
SMILES:
COc1ccc2c(-c3c(OC)c(OC)cc4c3[C@H](C2)N(C)CC4)c1OInChI:
InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)20(25-4)18-16(12)13(21)9-11-5-6-14(23-2)19(22)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1InChIKey:
QELDJEKNFOQJOY-ZDUSSCGKSA-NDeepSMILES:
COccccc-ccOC))cOC))ccc6[C@H]C%10)NC)CC6))))))))))c6OFunctional groups:
CN(C)C, cO, cOC
Molecular scaffolds
Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CC1NCCc3cccc-2c31Scaffold Graph/Node level:
C1CCC2C(C1)CC1NCCC3CCCC2C31Scaffold Graph level:
C1CCC2C(C1)CC1CCCC3CCCC2C31
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Alkaloids and derivativesClassyFire Class: Aporphines
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tyrosine alkaloids
NP Classifier Class: Aporphine alkaloids, Isoquinoline alkaloids
NP-Likeness score: 1.472
Chemical structure download