IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
Undecenol
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY013333
Phytochemical name:
Undecenol
Synonymous chemical names:
undecenol
External chemical identifiers:
CID:22506525
,
ZINC:ZINC000100507915
,
SureChEMBL:SCHEMBL130015
Chemical structure information
SMILES:
CCCCCCCCC/C=C/O
InChI:
InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h10-12H,2-9H2,1H3/b11-10+
InChIKey:
LEAQUNCACNBDEV-ZHACJKMWSA-N
DeepSMILES:
CCCCCCCCC/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:
1.285
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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