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IMPPAT Phytochemical information:
Lindelofidine
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY010280
Phytochemical name:
Lindelofidine
Synonymous chemical names:
lindelofidine
External chemical identifiers:
CID:11126361
,
ZINC:ZINC000038282033
,
FDASRS:B8448092FP
Chemical structure information
SMILES:
OC[C@@H]1CCN2[C@@H]1CCC2
InChI:
InChI=1S/C8H15NO/c10-6-7-3-5-9-4-1-2-8(7)9/h7-8,10H,1-6H2/t7-,8+/m0/s1
InChIKey:
LOFDEIYZIAVXHE-JGVFFNPUSA-N
DeepSMILES:
OC[C@@H]CCN[C@@H]5CCC5
Functional groups:
CN(C)C, CO
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C1CC2CCCN2C1
Scaffold Graph/Node level:
C1CC2CCCN2C1
Scaffold Graph level:
C1CC2CCCC2C1
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organoheterocyclic compounds
ClassyFire Class:
Pyrrolizidines
NP Classifier Biosynthetic pathway:
Alkaloids
NP Classifier Superclass:
Lysine alkaloids
NP Classifier Class:
Indolizidine alkaloids, Quinolizidine alkaloids
NP-Likeness score:
1.058
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
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