IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
6-Camphenol
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY015430
Phytochemical name:
6-Camphenol
Synonymous chemical names:
6-camphenol
External chemical identifiers:
CID:180537
Chemical structure information
SMILES:
O[C@@H]1C[C@@H]2C[C@H]1C(=C)C2(C)C
InChI:
InChI=1S/C10H16O/c1-6-8-4-7(5-9(8)11)10(6,2)3/h7-9,11H,1,4-5H2,2-3H3/t7-,8-,9+/m0/s1
InChIKey:
CFXJOMGPUADAJE-XHNCKOQMSA-N
DeepSMILES:
O[C@@H]C[C@@H]C[C@H]5C=C)C5C)C
Functional groups:
C=C(C)C, CO
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C=C1CC2CCC1C2
Scaffold Graph/Node level:
CC1CC2CCC1C2
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 Classifier Biosynthetic pathway:
Terpenoids
NP Classifier Superclass:
Monoterpenoids
NP Classifier Class:
Camphane monoterpenoids
NP-Likeness score:
3.196
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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