IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
a curated database
HOME
BROWSE
BASIC SEARCH
ADVANCED SEARCH
STATISTICS
ACKNOWLEDGEMENT
HELP
IMPPAT Phytochemical information:
Supinidine
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY005349
Phytochemical name:
Supinidine
Synonymous chemical names:
supinidine
External chemical identifiers:
CID:164663
,
ChEBI:9360
,
SureChEMBL:SCHEMBL19317459
Chemical structure information
SMILES:
OCC1=CCN2[C@H]1CCC2
InChI:
InChI=1S/C8H13NO/c10-6-7-3-5-9-4-1-2-8(7)9/h3,8,10H,1-2,4-6H2/t8-/m0/s1
InChIKey:
XMJAZPFSQQKHEG-QMMMGPOBSA-N
DeepSMILES:
OCC=CCN[C@H]5CCC5
Functional groups:
CC=C(C)C, CN(C)C, CO
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C1=CC2CCCN2C1
Scaffold Graph/Node level:
C1CC2CCCN2C1
Scaffold Graph level:
C1CC2CCCC2C1
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Alkaloids and derivatives
NP Classifier Biosynthetic pathway:
Alkaloids
NP Classifier Superclass:
Ornithine alkaloids
NP Classifier Class:
Pyrrolizidine alkaloids
NP-Likeness score:
1.522
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
Top