IMPPAT Phytochemical information:
(-)-Pronuciferine
Summary
IMPPAT Phytochemical identifier: IMPHY015019
Phytochemical name: (-)-Pronuciferine
Synonymous chemical names:n,o-dimethylcrotsparine
External chemical identifiers:CID:793841, ZINC:ZINC000019884529, FDASRS:RPT0IU7P8P
Chemical structure information
SMILES:
COc1c(OC)cc2c3c1C1(C=CC(=O)C=C1)C[C@@H]3N(CC2)CInChI:
InChI=1S/C19H21NO3/c1-20-9-6-12-10-15(22-2)18(23-3)17-16(12)14(20)11-19(17)7-4-13(21)5-8-19/h4-5,7-8,10,14H,6,9,11H2,1-3H3/t14-/m0/s1InChIKey:
WUYQEGNOQLRQAQ-AWEZNQCLSA-NDeepSMILES:
COccOC))cccc6CC=CC=O)C=C6)))))C[C@@H]5NCC9))CFunctional groups:
CN(C)C, O=C1C=CCC=C1, cOC
Molecular scaffolds
Scaffold Graph/Node/Bond level:
O=C1C=CC2(C=C1)CC1NCCc3cccc2c31Scaffold Graph/Node level:
OC1CCC2(CC1)CC1NCCC3CCCC2C31Scaffold Graph level:
CC1CCC2(CC1)CC1CCCC3CCCC2C31
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Alkaloids and derivativesClassyFire Class: Proaporphines
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tyrosine alkaloids
NP Classifier Class: Isoquinoline alkaloids
NP-Likeness score: 1.616
Chemical structure download