IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
Acetylaminoethanol
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY005631
Phytochemical name:
Acetylaminoethanol
Synonymous chemical names:
o-ac-2-aminoethanol
External chemical identifiers:
CID:19967814
,
SureChEMBL:SCHEMBL82871
Chemical structure information
SMILES:
CC(NC(=O)C)O
InChI:
InChI=1S/C4H9NO2/c1-3(6)5-4(2)7/h3,6H,1-2H3,(H,5,7)
InChIKey:
KOWHWGGCIXBOKF-UHFFFAOYSA-N
DeepSMILES:
CCNC=O)C)))O
Functional groups:
CC(=O)NC(C)O
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organic acids and derivatives
ClassyFire Class:
Carboxylic acids and derivatives
ClassyFire Subclass:
Carboxylic acid derivatives
NP Classifier Biosynthetic pathway:
Alkaloids
NP-Likeness score:
-0.022
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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