IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
N-Nitrosoguvacine
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY012203
Phytochemical name:
N-Nitrosoguvacine
Synonymous chemical names:
n-nitrosoguvacine
External chemical identifiers:
CID:62102
,
ChEBI:82511
Chemical structure information
SMILES:
O=NN1CCC=C(C1)C(=O)O
InChI:
InChI=1S/C6H8N2O3/c9-6(10)5-2-1-3-8(4-5)7-11/h2H,1,3-4H2,(H,9,10)
InChIKey:
XAZBVEFQMFZFEZ-UHFFFAOYSA-N
DeepSMILES:
O=NNCCC=CC6)C=O)O
Functional groups:
CC=C(C)C(=O)O, CN(C)N=O
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C1=CCNCC1
Scaffold Graph/Node level:
C1CCNCC1
Scaffold Graph level:
C1CCCCC1
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Alkaloids and derivatives
NP Classifier Biosynthetic pathway:
Amino acids and Peptides
NP Classifier Superclass:
Small peptides
NP Classifier Class:
Aminoacids
NP-Likeness score:
0.52
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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