3,4,5-Trihydroxy-2-(3,4,5-trihydroxybenzoyl)benzoic acid

Details

• Internal ID: e722b2e6-4664-4197-a7c3-32442595bd56
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Benzophenones
• IUPAC Name: 3,4,5-trihydroxy-2-(3,4,5-trihydroxybenzoyl)benzoic acid
• InChI: InChI=1S/C14H10O9/c15-6-1-4(2-7(16)11(6)19)10(18)9-5(14(22)23)3-8(17)12(20)13(9)21/h1-3,15-17,19-21H,(H,22,23)
• InChI Key: NGYQCUPHZGQVEE-UHFFFAOYSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₁₀O₉
• Molecular Weight: 322.22 g/mol
• Exact Mass: 322.03248189 g/mol
• Topological Polar Surface Area (TPSA): 176.00 Ų
• XlogP: 1.20

Synonyms

There are no found synonyms.

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	95.29%	91.11%
CHEMBL3194	P02766	Transthyretin	95.06%	90.71%
CHEMBL3864	Q06124	Protein-tyrosine phosphatase 2C	90.77%	94.42%
CHEMBL1293277	O15118	Niemann-Pick C1 protein	90.74%	81.11%
CHEMBL1293294	P51151	Ras-related protein Rab-9A	90.67%	87.67%
CHEMBL1811	P34995	Prostanoid EP1 receptor	86.50%	95.71%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	83.07%	90.71%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	83.04%	95.50%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	82.67%	95.56%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	81.79%	89.34%

Plants that contains it

• Pinus densiflora

Cross-Links

• PubChem: 54110823
• LOTUS: LTS0039789
• wikiData: Q105179241