NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundProtocatechuic acid
NPACT-IdNPACT00881
IUPAC3,4-dihydroxybenzoic acid
Synonyms3,4-DIHYDROXYBENZOIC ACID;Protocatechuate;Protocatehuic acid;Benzoic acid,3,4-dihydroxy-;4-Carboxy-1,2-dihydroxybenzene;4,5-Dihydroxybenzoic acid;3,4-dihydroxybenzoes;3,4-dihydrobenzoic acid;Catechol-4-carboxylic Acid;b-Resorcylate;Beta-Resorcylate;Protacatechuic Acid;3,4-Dihydroxybenzoic acid;Pyrocatechol-4-carboxylic Acid
PubChem Id72
ClassSimple aromatic natural products
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity Yes
TargetsAKT1 | MMP2 | MMP9 | NFKB1 | RHOB | TIMP2 |   All | 
Properties Physical   Elemental  Topological
InChi KeyYQUVCSBJEUQKSH-UHFFFAOYSA-N
InChi1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)
SMILESOc1cc(ccc1O)C(=O)O
SMART[H]OC(=O)C1=C([H])C(O[H])=C(O[H])C([H])=C1[H]
CAS No.99-50-3
Structure
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Cross Refrence in other databases
Super Natural   000099503
CTD   C009091
HIT   C0572
NCI-60 GI50 data   -
Suppliers AAA Chemistry, ABBLIS Chemicals, ABI Chem, AKos Consulting & Solutions, Ambinter, Biosynth, ChemFrog, Chemical Synthesis Database, ChemMol, Enamine, IS Chemical Technology, MolPort, MP Biomedicals, R&D Chemicals, Sigma-Aldrich, TCI (Tokyo Chemical Industry), Vitas-M Laboratory, 
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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