IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
Cyclofenchene
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY007876
Phytochemical name:
Cyclofenchene
Synonymous chemical names:
cyclofenchene
External chemical identifiers:
CID:79022
,
SureChEMBL:SCHEMBL21925072
Chemical structure information
SMILES:
CC1(C)C2CC3C1C3(C2)C
InChI:
InChI=1S/C10H16/c1-9(2)6-4-7-8(9)10(7,3)5-6/h6-8H,4-5H2,1-3H3
InChIKey:
NZXWDTCLMXDSHY-UHFFFAOYSA-N
DeepSMILES:
CCC)CCCC5C3C6)C
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C1C2CC3C1C3C2
Scaffold Graph/Node level:
C1C2CC3C1C3C2
Scaffold Graph level:
C1C2CC3C1C3C2
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:
3.065
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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