IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
7-epi-Silphiperfol-5-ene
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY011073
Phytochemical name:
7-epi-Silphiperfol-5-ene
Synonymous chemical names:
7-epi-silphiperfol-5-ene
External chemical identifiers:
CID:74819460
Chemical structure information
SMILES:
CC1CCC23C1CCC3(C)C=C(C2C)C
InChI:
InChI=1S/C15H24/c1-10-5-8-15-12(3)11(2)9-14(15,4)7-6-13(10)15/h9-10,12-13H,5-8H2,1-4H3
InChIKey:
OVRIZVNVMIWWMN-UHFFFAOYSA-N
DeepSMILES:
CCCCCC5CCC5C)C=CC8C))C
Functional groups:
CC=C(C)C
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C1=CC2CCC3CCCC23C1
Scaffold Graph/Node level:
C1CC2CCC3CCCC23C1
Scaffold Graph level:
C1CC2CCC3CCCC23C1
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Lipids and lipid-like molecules
ClassyFire Class:
Prenol lipids
ClassyFire Subclass:
Sesquiterpenoids
NP Classifier Biosynthetic pathway:
Terpenoids
NP Classifier Superclass:
Sesquiterpenoids
NP Classifier Class:
Silphiperfolane sesquiterpenoids
NP-Likeness score:
2.862
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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