IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
gamma-Campholenal
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY017113
Phytochemical name:
gamma-Campholenal
Synonymous chemical names:
γ-campholenal
External chemical identifiers:
CID:14593276
Chemical structure information
SMILES:
OCCC1CCC(=C)C1(C)C
InChI:
InChI=1S/C10H18O/c1-8-4-5-9(6-7-11)10(8,2)3/h9,11H,1,4-7H2,2-3H3
InChIKey:
WBHCKTOVJQYUQV-UHFFFAOYSA-N
DeepSMILES:
OCCCCCC=C)C5C)C
Functional groups:
C=C(C)C, CO
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C=C1CCCC1
Scaffold Graph/Node level:
CC1CCCC1
Scaffold Graph level:
CC1CCCC1
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-Likeness score:
2.637
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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