NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound3-methoxy-4-hydroxybenzoic acid
NPACT-IdNPACT00132
IUPAC4-hydroxy-3-methoxybenzoic acid
SynonymsVanillic acid; 4-HYDROXY-3-METHOXYBENZOIC ACID; Acide vanillique; Vanillate; p-Vanillic acid; 3-Methoxy-4-hydroxybenzoic acid; 4-Hydroxy-3-methoxybenzoate; p-Vanillate; 4-hydroxy-m-Anisate; 4-hydroxy-m-Anisic acid; 3-Methoxy-4-hydroxybenzoate; 4-hydroxy-3-methoxy-Benzoate; 4-hydroxy-3-methoxy benzoic acid; 4-hydroxy-3-methoxy-Benzoic acid; Protocatechuic acid 3-methyl ester
PubChem Id8468
ClassSimple aromatic natural products
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyWKOLLVMJNQIZCI-UHFFFAOYSA-N
InChi1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)
SMILESO(c1cc(ccc1O)C(=O)O)C
SMART[H]OC(=O)C1=C([H])C(OC([H])([H])[H])=C(O[H])C([H])=C1[H]
CAS No.121-34-6
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   C0289
NCI-60 GI50 data   -
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Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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