Summary
SMILES: O[C@@H]1CC=C2[C@@H]3[C@@H]1c1cc4OCOc4cc1CN3CC2InChI: InChI=1S/C16H17NO3/c18-12-2-1-9-3-4-17-7-10-5-13-14(20-8-19-13)6-11(10)15(12)16(9)17/h1,5-6,12,15-16,18H,2-4,7-8H2/t12-,15-,16-/m1/s1InChIKey: XKYSLILSDJBMCU-DAXOMENPSA-N
DeepSMILES: O[C@@H]CC=C[C@@H][C@@H]6cccOCOc5cc9CN%13CC%16
Scaffold Graph/Node/Bond level: C1=C2CCN3Cc4cc5c(cc4C(CC1)C23)OCO5
Scaffold Graph/Node level: C1CC2CCN3CC4CC5OCOC5CC4C(C1)C23
Scaffold Graph level: C1CC2CC3CC4CCC5CCCC(C3CC2C1)C54
Functional groups: CC=C(C)C; CN(C)C; CO; c1cOCO1
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Alkaloids and derivativesClassyFire Class: Amaryllidaceae alkaloids
ClassyFire Subclass: Lycorine-type amaryllidaceae alkaloids
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Lysine alkaloids|Tyrosine alkaloids
NP Classifier Class: Amarylidaceae alkaloids|Indolizidine alkaloids
Synonymous chemical names:caranine
External chemical identifiers:CID:441589; ChEMBL:CHEMBL575125; ChEBI:3383; ZINC:ZINC000004097642; SureChEMBL:SCHEMBL21578195
Chemical structure download