IMPPAT Phytochemical information:
Amabiline
Summary
IMPPAT Phytochemical identifier: IMPHY004153
Phytochemical name: Amabiline
Synonymous chemical names:amabiline
External chemical identifiers:CID:442706, ChEBI:2617
Chemical structure information
SMILES:
CC([C@@](C(=O)OCC1=CCN2[C@H]1CCC2)([C@@H](O)C)O)CInChI:
InChI=1S/C15H25NO4/c1-10(2)15(19,11(3)17)14(18)20-9-12-6-8-16-7-4-5-13(12)16/h6,10-11,13,17,19H,4-5,7-9H2,1-3H3/t11-,13-,15-/m0/s1InChIKey:
DRVWTOSBCBKXOR-WHOFXGATSA-NDeepSMILES:
CC[C@@]C=O)OCC=CCN[C@H]5CCC5)))))))))))[C@@H]O)C))O))CFunctional groups:
CC=C(C)C, CN(C)C, CO, COC(C)=O
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C1=CC2CCCN2C1Scaffold Graph/Node level:
C1CC2CCCN2C1Scaffold Graph level:
C1CC2CCCC2C1
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Alkaloids and derivativesNP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Ornithine alkaloids
NP Classifier Class: Pyrrolizidine alkaloids
NP-Likeness score: 1.552
Chemical structure download