IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
2-Norbornanol, 3,3-dimethyl-
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY017360
Phytochemical name:
2-Norbornanol, 3,3-dimethyl-
Synonymous chemical names:
camphenilol
External chemical identifiers:
CID:534794
,
SureChEMBL:SCHEMBL6899186
Chemical structure information
SMILES:
OC1C2CCC(C1(C)C)C2
InChI:
InChI=1S/C9H16O/c1-9(2)7-4-3-6(5-7)8(9)10/h6-8,10H,3-5H2,1-2H3
InChIKey:
HXUXMDQJDDDOIJ-UHFFFAOYSA-N
DeepSMILES:
OCCCCCC6C)C))C5
Functional groups:
CO
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C1CC2CCC1C2
Scaffold Graph/Node level:
C1CC2CCC1C2
Scaffold Graph level:
C1CC2CCC1C2
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Lipids and lipid-like molecules
ClassyFire Class:
Prenol lipids
ClassyFire Subclass:
Monoterpenoids
NP Classifier Biosynthetic pathway:
Terpenoids
NP Classifier Superclass:
Monoterpenoids
NP Classifier Class:
Camphane monoterpenoids
NP-Likeness score:
2.26
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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