IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
Cyclodecanol
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY012149
Phytochemical name:
Cyclodecanol
Synonymous chemical names:
cyclodecanol
External chemical identifiers:
CID:15166
,
ZINC:ZINC000004901043
,
SureChEMBL:SCHEMBL290420
Chemical structure information
SMILES:
OC1CCCCCCCCC1
InChI:
InChI=1S/C10H20O/c11-10-8-6-4-2-1-3-5-7-9-10/h10-11H,1-9H2
InChIKey:
WFRBMXFCEAHLGH-UHFFFAOYSA-N
DeepSMILES:
OCCCCCCCCCC%10
Functional groups:
CO
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C1CCCCCCCCC1
Scaffold Graph/Node level:
C1CCCCCCCCC1
Scaffold Graph level:
C1CCCCCCCCC1
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organic oxygen compounds
ClassyFire Class:
Organooxygen compounds
ClassyFire Subclass:
Alcohols and polyols
NP Classifier Biosynthetic pathway:
Fatty acids
NP Classifier Superclass:
Fatty esters
NP Classifier Class:
Lactones
NP-Likeness score:
0.478
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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