Summary
IMPPAT Phytochemical identifier: IMPHY002256
Phytochemical name: Nuciferine
Synonymous chemical names:nuciferin, nuciferine
External chemical identifiers:CID:10146, ChEMBL:CHEMBL464529, ZINC:ZINC000000320698, FDASRS:W26UEB90B7, SureChEMBL:SCHEMBL20544868, MolPort-003-811-346
Chemical structure information
SMILES:
COc1cc2CCN([C@H]3c2c(-c2ccccc2C3)c1OC)CInChI:
InChI=1S/C19H21NO2/c1-20-9-8-13-11-16(21-2)19(22-3)18-14-7-5-4-6-12(14)10-15(20)17(13)18/h4-7,11,15H,8-10H2,1-3H3/t15-/m1/s1InChIKey:
ORJVQPIHKOARKV-OAHLLOKOSA-NDeepSMILES:
COcccCCN[C@H]c6c-cccccc6C%10)))))))c%10OC))))))CFunctional groups:
CN(C)C, 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: 1.18
Chemical structure download