NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound2(R)-hydroxybutanedioic acid
NPACT-IdNPACT00059
IUPAC(2R)-2-hydroxybutanedioic acid
SynonymsD-malic acid;D-(+)-malic acid;R-Malic acid;Malic acid, D-;D(+)-Malic acid;L(+)-Malic acid;Malic acid, L(+)-;Malic acid D-(+)-form;2-HYDROXY-SUCCINIC ACID;(2R)-2-hydroxybutanedioic acid;(R)-(+)-2-Hydroxysuccinic acid;D-Hydroxybutanedioic acid;(+)-D-malic acid;D-(+)-Apple Acid
PubChem Id92824
ClassOrganic chemical
In-vitro anticancer activtiy 2 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyBJEPYKJPYRNKOW-UWTATZPHSA-N
InChi1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1
SMILESO[C@H](CC(=O)O)C(=O)O
SMART[H]OC(=O)C([H])([H])[C@@]([H])(O[H])C(=O)O[H]
CAS No.636-61-3
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers AAA Chemistry, ABI Chem, Ambinter, Biosynth, ChemMol, Hangzhou APIChem Technology, Hangzhou Trylead Chemical Technology, MolPort, Sigma-Aldrich, TCI (Tokyo Chemical Industry), 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   No
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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