Cowaphloroglucinol

Details

• Internal ID: a26378c8-7d1a-4db3-bce5-a8ce7aaeface
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Hydroxybenzoic acid derivatives
• IUPAC Name: methyl 2,4,6-trihydroxy-3-(3-methylbut-2-enyl)benzoate
• InChI: InChI=1S/C13H16O5/c1-7(2)4-5-8-9(14)6-10(15)11(12(8)16)13(17)18-3/h4,6,14-16H,5H2,1-3H3
• InChI Key: NIRHYMAEGVHRAU-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₃H₁₆O₅
• Molecular Weight: 252.26 g/mol
• Exact Mass: 252.09977361 g/mol
• Topological Polar Surface Area (TPSA): 87.00 Ų
• XlogP: 3.20

Synonyms

• NSC752807
• NSC-752807

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	98.98%	91.11%
CHEMBL3401	O75469	Pregnane X receptor	92.65%	94.73%
CHEMBL2581	P07339	Cathepsin D	91.86%	98.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	91.08%	94.45%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.84%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	88.79%	99.17%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	84.37%	96.00%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	84.09%	96.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	83.87%	86.33%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	81.46%	97.21%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	81.16%	89.34%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	81.06%	91.07%
CHEMBL335	P18031	Protein-tyrosine phosphatase 1B	80.16%	95.17%

Plants that contains it

• Pedinophyllum interruptum

Cross-Links

• PubChem: 60147886
• LOTUS: LTS0128913
• wikiData: Q105179968