2,3,4,5-Tetramethoxybenzoic acid

Details

• Internal ID: b9c22f79-f4e6-4197-82fc-f1566a286a82
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Hydroxybenzoic acid derivatives > Gallic acid and derivatives
• IUPAC Name: 2,3,4,5-tetramethoxybenzoic acid
• InChI: InChI=1S/C11H14O6/c1-14-7-5-6(11(12)13)8(15-2)10(17-4)9(7)16-3/h5H,1-4H3,(H,12,13)
• InChI Key: AJNOMVUCBQJKGC-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₁₄O₆
• Molecular Weight: 242.22 g/mol
• Exact Mass: 242.07903816 g/mol
• Topological Polar Surface Area (TPSA): 74.20 Ų
• XlogP: 1.30

Synonyms

• 72023-44-0
• Benzoic acid,2,3,4,5-tetramethoxy-
• SCHEMBL1438926
• DTXSID20342858
• AJNOMVUCBQJKGC-UHFFFAOYSA-N
• AKOS016347740

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.77%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	89.79%	99.17%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.29%	86.33%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	89.10%	95.50%
CHEMBL1255126	O15151	Protein Mdm4	88.61%	90.20%
CHEMBL3864	Q06124	Protein-tyrosine phosphatase 2C	85.52%	94.42%
CHEMBL2535	P11166	Glucose transporter	85.30%	98.75%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	83.58%	93.00%
CHEMBL4040	P28482	MAP kinase ERK2	83.11%	83.82%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	82.93%	96.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	82.14%	95.56%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	81.13%	85.14%

Plants that contains it

• Relhania acerosa

Cross-Links

• PubChem: 585130
• LOTUS: LTS0219137
• wikiData: Q82113855