Thielavin U
| Internal ID | c0b0948f-a557-4cac-ad60-bff623a77d1d |
| Taxonomy | Phenylpropanoids and polyketides > Depsides and depsidones |
| IUPAC Name | (3-hydroxy-2,5,6-trimethylphenyl) 4-(2,4-dihydroxy-6-methylbenzoyl)oxy-2-hydroxy-3,5,6-trimethylbenzoate |
| SMILES (Canonical) | CC1=CC(=CC(=C1C(=O)OC2=C(C(=C(C(=C2C)C)C(=O)OC3=C(C(=CC(=C3C)O)C)C)O)C)O)O |
| SMILES (Isomeric) | CC1=CC(=CC(=C1C(=O)OC2=C(C(=C(C(=C2C)C)C(=O)OC3=C(C(=CC(=C3C)O)C)C)O)C)O)O |
| InChI | InChI=1S/C27H28O8/c1-11-9-19(29)16(6)24(13(11)3)34-27(33)22-14(4)15(5)25(17(7)23(22)31)35-26(32)21-12(2)8-18(28)10-20(21)30/h8-10,28-31H,1-7H3 |
| InChI Key | AJZDPYIXYWYKSD-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C27H28O8 |
| Molecular Weight | 480.50 g/mol |
| Exact Mass | 480.17841785 g/mol |
| Topological Polar Surface Area (TPSA) | 134.00 Ų |
| XlogP | 7.00 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| 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 | 94.95% | 91.11% |
| CHEMBL3194 | P02766 | Transthyretin | 88.19% | 90.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.12% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.07% | 89.00% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 87.52% | 96.12% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.30% | 94.73% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.97% | 99.15% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 85.77% | 93.65% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.63% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.49% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.45% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.81% | 94.00% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 82.52% | 94.42% |
| CHEMBL1913 | P09619 | Platelet-derived growth factor receptor beta | 82.42% | 95.70% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.27% | 99.17% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.39% | 91.07% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 139586148 |
| LOTUS | LTS0081929 |
| wikiData | Q77499852 |