IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
Cuskhygrine
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY014932
Phytochemical name:
Cuskhygrine
Synonymous chemical names:
hellaradine
External chemical identifiers:
CID:441070
,
SureChEMBL:SCHEMBL336170
Chemical structure information
SMILES:
O=C(CC1CCCN1C)CC1CCCN1C
InChI:
InChI=1S/C13H24N2O/c1-14-7-3-5-11(14)9-13(16)10-12-6-4-8-15(12)2/h11-12H,3-10H2,1-2H3
InChIKey:
ZEBIACKKLGVLFZ-UHFFFAOYSA-N
DeepSMILES:
O=CCCCCCN5C)))))))CCCCCN5C
Functional groups:
CC(C)=O, CN(C)C
Molecular scaffolds
Scaffold Graph/Node/Bond level:
O=C(CC1CCCN1)CC1CCCN1
Scaffold Graph/Node level:
OC(CC1CCCN1)CC1CCCN1
Scaffold Graph level:
CC(CC1CCCC1)CC1CCCC1
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Alkaloids and derivatives
NP Classifier Biosynthetic pathway:
Alkaloids
NP Classifier Superclass:
Ornithine alkaloids
NP Classifier Class:
Pyrrolidine alkaloids
NP-Likeness score:
0.296
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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