IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
Erythritol
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Predicted human target proteins
Summary
IMPPAT Phytochemical identifier:
IMPHY010101
Phytochemical name:
Erythritol
Synonymous chemical names:
erythritol
External chemical identifiers:
CID:222285
,
ChEMBL:CHEMBL349605
,
ChEBI:17113
,
ZINC:ZINC000017971067
,
FDASRS:RA96B954X6
,
SureChEMBL:SCHEMBL17062
,
MolPort-003-933-428
Chemical structure information
SMILES:
OC[C@H]([C@H](CO)O)O
InChI:
InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4+
InChIKey:
UNXHWFMMPAWVPI-ZXZARUISSA-N
DeepSMILES:
OC[C@H][C@H]CO))O))O
Functional groups:
CO
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organic oxygen compounds
ClassyFire Class:
Organooxygen compounds
ClassyFire Subclass:
Carbohydrates and carbohydrate conjugates
NP-Likeness score:
1.196
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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