IMPPAT Phytochemical information:
Lupinine
Summary
IMPPAT Phytochemical identifier: IMPHY003948
Phytochemical name: Lupinine
Synonymous chemical names:lupinine
External chemical identifiers:CID:91461, ChEMBL:CHEMBL459397, ChEBI:28012, ZINC:ZINC000003881368, FDASRS:F74RAC8A5Q, SureChEMBL:SCHEMBL177708, MolPort-001-790-881
Chemical structure information
SMILES:
OC[C@@H]1CCCN2[C@@H]1CCCC2InChI:
InChI=1S/C10H19NO/c12-8-9-4-3-7-11-6-2-1-5-10(9)11/h9-10,12H,1-8H2/t9-,10+/m0/s1InChIKey:
HDVAWXXJVMJBAR-VHSXEESVSA-NDeepSMILES:
OC[C@@H]CCCN[C@@H]6CCCC6Functional groups:
CN(C)C, CO
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C1CCN2CCCCC2C1Scaffold Graph/Node level:
C1CCN2CCCCC2C1Scaffold Graph level:
C1CCC2CCCCC2C1
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Alkaloids and derivativesClassyFire Class: Lupin alkaloids
ClassyFire Subclass: Lupinine-type alkaloids
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Lysine alkaloids
NP Classifier Class: Quinolizidine alkaloids
NP-Likeness score: 0.816
Chemical structure download