IMPPAT Phytochemical information: 
d-Tartaric acid
d-Tartaric acid
Summary

SMILES: O[C@@H]([C@@H](C(=O)O)O)C(=O)O
InChI: InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m0/s1
InChIKey: FEWJPZIEWOKRBE-LWMBPPNESA-N
DeepSMILES: O[C@@H][C@@H]C=O)O))O))C=O)O
Functional groups: CO; CC(=O)O
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Organic oxygen compounds
ClassyFire Class: Organooxygen compounds
ClassyFire Subclass: Carbohydrates and carbohydrate conjugates
NP Classifier Biosynthetic pathway: Fatty acids
NP Classifier Superclass: Fatty Acids and Conjugates
NP Classifier Class: Hydroxy fatty acids
Synonymous chemical names:
Tartaric acid, tartaric-acid, tartaric acid, d-tartaric acid, tartaric
External chemical identifiers:
CID:CID_439655; ChEMBL:CHEMBL1200861; ChEBI:CHEBI:15672; ZINC:ZINC000000895296; FDASRS:RRX6A4PL3C; SureChEMBL:SCHEMBL116846; MolPort-001-761-151
Chemical structure download
2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT
d-Tartaric acid
Physicochemical properties
Property name Tool Property value
Molecular weight (g/mol) RDKit 150.09
Log P RDKit -2.12
Topological polar surface area (Å2) RDKit 115.06
Number of hydrogen bond acceptors RDKit 4
Number of hydrogen bond donors RDKit 4
Number of carbon atoms RDKit 4
Number of heavy atoms RDKit 10
Number of heteroatoms RDKit 6
Number of nitrogen atoms RDKit 0
Number of sulfur atoms RDKit 0
Number of chiral carbon atoms RDKit 2
Stereochemical complexity RDKit 0.5
Number of sp hybridized carbon atoms RDKit 0
Number of sp2 hybridized carbon atoms RDKit 2
Number of sp3 hybridized carbon atoms RDKit 2
Shape complexity RDKit 0.5
Number of rotatable bonds RDKit 3
Number of aliphatic carbocycles RDKit 0
Number of aliphatic heterocycles RDKit 0
Number of aliphatic rings RDKit 0
Number of aromatic carbocycles RDKit 0
Number of aromatic heterocycles RDKit 0
Number of aromatic rings RDKit 0
Total number of rings RDKit 0
Number of saturated carbocycles RDKit 0
Number of saturated heterocycles RDKit 0
Number of saturated rings RDKit 0
Number of Smallest Set of Smallest Rings (SSSR) RDKit 0
d-Tartaric acid
Drug-likeness
Property nameToolProperty value
Number of Lipinski’s rule of 5 violations RDKit 0
Lipinski’s rule of 5 filter RDKit Passed
Number of Ghose filter violations RDKit 4
Ghose filter RDKit Failed
Veber filter RDKit Good
Pfizer 3/75 filter RDKit Good
GSK 4/400 filter RDKit Good
Weighted quantitative estimate of drug-likeness (QEDw) score RDKit 0.365229
d-Tartaric acid
ADME properties
Property nameToolProperty value
Bioavailability score SwissADME 0.56
Solubility class [ESOL] SwissADME Highly soluble
Solubility class [Silicos-IT] SwissADME Soluble
Blood Brain Barrier permeation SwissADME No
Gastrointestinal absorption SwissADME Low
Log Kp (Skin permeation, cm/s) SwissADME -8.55
Number of PAINS structural alerts SwissADME 0
Number of Brenk structural alerts SwissADME 0
CYP1A2 inhibitor SwissADME No
CYP2C19 inhibitor SwissADME No
CYP2C9 inhibitor SwissADME No
CYP2D6 inhibitor SwissADME No
CYP3A4 inhibitor SwissADME No
P-glycoprotein substrate SwissADME No
d-Tartaric acid
Phytochemical - Human target proteins supported by experimental evidence associations
Human target proteins supported by experimental evidence
IMPPAT target identifierGene identifierHGNC symbolEntrez Gene identifierSource
TAR_EXP_001726ENSG00000163517HDAC1179885ChEMBL
TAR_EXP_001928ENSG00000068024HDAC49759ChEMBL
TAR_EXP_001926ENSG00000048052HDAC99734ChEMBL
TAR_EXP_001923ENSG00000066135KDM4A9682NPASS
TAR_EXP_001831ENSG00000171720HDAC38841ChEMBL
TAR_EXP_001761ENSG00000100429HDAC1083933ChEMBL, NPASS
TAR_EXP_001631ENSG00000165409TSHR7253NPASS
TAR_EXP_001031ENSG00000112312GMNN51053NPASS
TAR_EXP_001075ENSG00000061273HDAC751564ChEMBL
TAR_EXP_000685ENSG00000196591HDAC23066ChEMBL
TAR_EXP_000684ENSG00000116478HDAC13065ChEMBL
TAR_EXP_000005ENSG00000108840HDAC510014ChEMBL
TAR_EXP_000004ENSG00000094631HDAC610013ChEMBL
TAR_EXP_001222ENSG00000147099HDAC855869ChEMBL