IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
gamma-Coniceine
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY004790
Phytochemical name:
gamma-Coniceine
Synonymous chemical names:
gamma-coniceine, γ-coniceine
External chemical identifiers:
CID:442632
,
ChEBI:10561
,
ZINC:ZINC000030727080
,
FDASRS:PHK73QLK4Z
,
SureChEMBL:SCHEMBL1760704
,
MolPort-038-949-637
Chemical structure information
SMILES:
CCCC1=NCCCC1
InChI:
InChI=1S/C8H15N/c1-2-5-8-6-3-4-7-9-8/h2-7H2,1H3
InChIKey:
PQSOVRNZJIENNW-UHFFFAOYSA-N
DeepSMILES:
CCCC=NCCCC6
Functional groups:
CN=C(C)C
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C1=NCCCC1
Scaffold Graph/Node level:
C1CCNCC1
Scaffold Graph level:
C1CCCCC1
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organoheterocyclic compounds
ClassyFire Class:
Pyridines and derivatives
ClassyFire Subclass:
Hydropyridines
NP Classifier Biosynthetic pathway:
Alkaloids
NP Classifier Superclass:
Pseudoalkaloids
NP Classifier Class:
Acetate-derived alkaloids
NP-Likeness score:
0.826
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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