Compound	Protocatechuic acid
NPACT-Id	NPACT00881
IUPAC	3,4-dihydroxybenzoic acid
Synonyms	3,4-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 Id	72
Class	Simple aromatic natural products
In-vitro anticancer activity	2 cancer cell lines
In-Vivo anticancer activity	Yes
Targets	AKT1 \| MMP2 \| MMP9 \| NFKB1 \| RHOB \| TIMP2 \| All \|
Properties	Physical Elemental Topological
InChi Key	YQUVCSBJEUQKSH-UHFFFAOYSA-N
InChi	1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)
SMILES	Oc1cc(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 Download
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 Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase