IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
Eicosen-1-ol
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY015643
Phytochemical name:
Eicosen-1-ol
Synonymous chemical names:
eicosen-1-ol
External chemical identifiers:
CID:6365348
,
SureChEMBL:SCHEMBL229935
Chemical structure information
SMILES:
CCCCCCCCCCCCCCCCCC/C=C/O
InChI:
InChI=1S/C20H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h19-21H,2-18H2,1H3/b20-19+
InChIKey:
ACJQRYKUUGFHPV-FMQUCBEESA-N
DeepSMILES:
CCCCCCCCCCCCCCCCCC/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-Likeness score:
0.734
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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