IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
Nonenol
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY015866
Phytochemical name:
Nonenol
Synonymous chemical names:
nonenol
External chemical identifiers:
CID:15651725
,
SureChEMBL:SCHEMBL128393
Chemical structure information
SMILES:
CCCCCCC/C=C/O
InChI:
InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h8-10H,2-7H2,1H3/b9-8+
InChIKey:
XKBCNTPVQJGJPY-CMDGGOBGSA-N
DeepSMILES:
CCCCCCC/C=C/O
Functional groups:
C/C=C/O
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organic oxygen compounds
ClassyFire Class:
Organooxygen compounds
ClassyFire Subclass:
Enols
NP Classifier Biosynthetic pathway:
Fatty acids
NP Classifier Superclass:
Fatty acyls
NP Classifier Class:
Fatty alcohols
NP-Likeness score:
1.542
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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