IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
6-Camphenone
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY017094
Phytochemical name:
6-Camphenone
Synonymous chemical names:
6-camphenone
External chemical identifiers:
CID:14088350
Chemical structure information
SMILES:
O=C1CC2CC1C(C2=C)(C)C
InChI:
InChI=1S/C10H14O/c1-6-7-4-8(9(11)5-7)10(6,2)3/h7-8H,1,4-5H2,2-3H3
InChIKey:
ANYFZDNBRIMCPS-UHFFFAOYSA-N
DeepSMILES:
O=CCCCC5CC5=C))C)C
Functional groups:
C=C(C)C, CC(C)=O
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C=C1CC2CC1CC2=O
Scaffold Graph/Node level:
CC1CC2CC1CC2O
Scaffold Graph level:
CC1CC2CC1CC2C
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:
2.128
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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