Summary
IMPPAT Phytochemical identifier: IMPHY005774
Phytochemical name: O-Nornuciferine
Synonymous chemical names:asimilobine, n-methyl, n-methylasimilobine, nuciferine, nor (-), o-nornuciferine
External chemical identifiers:CID:197017, ChEMBL:CHEMBL2316499, ZINC:ZINC000003644819, MolPort-046-158-431
Chemical structure information
SMILES:
COc1c(O)cc2c3c1-c1ccccc1C[C@H]3N(CC2)CInChI:
InChI=1S/C18H19NO2/c1-19-8-7-12-10-15(20)18(21-2)17-13-6-4-3-5-11(13)9-14(19)16(12)17/h3-6,10,14,20H,7-9H2,1-2H3/t14-/m1/s1InChIKey:
AKXOIHNFHOEPHN-CQSZACIVSA-NDeepSMILES:
COccO)cccc6-cccccc6C[C@H]%10NCC%14))CFunctional 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: 1.627
Chemical structure download