IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
Norcamphor
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY016950
Phytochemical name:
Norcamphor
Synonymous chemical names:
bicyclo [2.2.1] heptan-2-one
External chemical identifiers:
CID:10345
,
ChEMBL:CHEMBL361682
,
SureChEMBL:SCHEMBL83478
,
MolPort-003-938-845
Chemical structure information
SMILES:
O=C1CC2CC1CC2
InChI:
InChI=1S/C7H10O/c8-7-4-5-1-2-6(7)3-5/h5-6H,1-4H2
InChIKey:
KPMKEVXVVHNIEY-UHFFFAOYSA-N
DeepSMILES:
O=CCCCC5CC5
Functional groups:
CC(C)=O
Molecular scaffolds
Scaffold Graph/Node/Bond level:
O=C1CC2CCC1C2
Scaffold Graph/Node level:
OC1CC2CCC1C2
Scaffold Graph level:
CC1CC2CCC1C2
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Lipids and lipid-like molecules
ClassyFire Class:
Prenol lipids
ClassyFire Subclass:
Monoterpenoids
NP-Likeness score:
0.91
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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