Summary
IMPPAT Phytochemical identifier: IMPHY010143
Phytochemical name: Tropine
Synonymous chemical names:pseudotropine, psi-tropine, tropanol, tropine
External chemical identifiers:CID:449293, ChEMBL:CHEMBL1356617, ZINC:ZINC000000158421, SureChEMBL:SCHEMBL64824, MolPort-018-617-152
Chemical structure information
SMILES:
OC1C[C@@H]2CC[C@H](C1)N2CInChI:
InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7+,8?InChIKey:
CYHOMWAPJJPNMW-DHBOJHSNSA-NDeepSMILES:
OCC[C@@H]CC[C@H]C7)N5CFunctional groups:
CN(C)C, CO
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C1CC2CCC(C1)N2Scaffold Graph/Node level:
C1CC2CCC(C1)N2Scaffold Graph level:
C1CC2CCC(C1)C2
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Alkaloids and derivativesClassyFire Class: Tropane alkaloids
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Ornithine alkaloids
NP Classifier Class: Tropane alkaloids
NP-Likeness score: 1.013
Chemical structure download