Tyrosine gallate

Details

• Internal ID: fecf66af-ea52-4b0b-9cc1-04eab796c076
• Taxonomy: Phenylpropanoids and polyketides > Depsides and depsidones
• IUPAC Name: (2S)-2-amino-3-[4-(3,4,5-trihydroxybenzoyl)oxyphenyl]propanoic acid
• SMILES (Canonical): C1=CC(=CC=C1CC(C(=O)O)N)OC(=O)C2=CC(=C(C(=C2)O)O)O
• SMILES (Isomeric): C1=CC(=CC=C1C[C@@H](C(=O)O)N)OC(=O)C2=CC(=C(C(=C2)O)O)O
• InChI: InChI=1S/C16H15NO7/c17-11(15(21)22)5-8-1-3-10(4-2-8)24-16(23)9-6-12(18)14(20)13(19)7-9/h1-4,6-7,11,18-20H,5,17H2,(H,21,22)/t11-/m0/s1
• InChI Key: SGUXCLISHNMIEC-NSHDSACASA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₁₅NO₇
• Molecular Weight: 333.29 g/mol
• Exact Mass: 333.08485182 g/mol
• Topological Polar Surface Area (TPSA): 150.00 Ų
• XlogP: -1.10

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	98.18%	91.11%
CHEMBL3060	Q9Y345	Glycine transporter 2	95.48%	99.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.20%	96.09%
CHEMBL2581	P07339	Cathepsin D	93.11%	98.95%
CHEMBL1255126	O15151	Protein Mdm4	92.29%	90.20%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	92.03%	99.15%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	90.14%	97.21%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.87%	86.33%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	87.67%	95.50%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	87.39%	96.95%
CHEMBL3492	P49721	Proteasome Macropain subunit	87.15%	90.24%
CHEMBL4208	P20618	Proteasome component C5	85.20%	90.00%
CHEMBL3194	P02766	Transthyretin	84.96%	90.71%
CHEMBL335	P18031	Protein-tyrosine phosphatase 1B	84.69%	95.17%
CHEMBL1951	P21397	Monoamine oxidase A	84.66%	91.49%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	83.88%	94.00%
CHEMBL233	P35372	Mu opioid receptor	83.40%	97.93%
CHEMBL3976	Q9UHL4	Dipeptidyl peptidase II	83.37%	92.29%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	82.90%	91.71%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	82.38%	95.56%
CHEMBL209	P07477	Trypsin I	82.22%	90.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	82.17%	95.89%
CHEMBL3437	Q16853	Amine oxidase, copper containing	81.46%	94.00%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	80.70%	90.71%

Plants that contains it

• Inga laurina

Cross-Links

• PubChem: 16104925
• LOTUS: LTS0064542
• wikiData: Q105252653