Thielavin N
| Internal ID | 63501598-a469-409e-b144-e8e57c0ee139 |
| Taxonomy | Phenylpropanoids and polyketides > Depsides and depsidones |
| IUPAC Name | 4-[4-(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy-2-hydroxy-3,5,6-trimethylbenzoyl]oxy-6-methoxy-2,3-dimethylbenzoic acid |
| SMILES (Canonical) | CC1=CC(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2C)C)C(=O)OC3=CC(=C(C(=C3C)C)C(=O)O)OC)O)C)O)C)O |
| SMILES (Isomeric) | CC1=CC(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2C)C)C(=O)OC3=CC(=C(C(=C3C)C)C(=O)O)OC)O)C)O)C)O |
| InChI | InChI=1S/C29H30O10/c1-11-9-18(30)16(6)24(31)21(11)28(35)39-26-15(5)14(4)23(25(32)17(26)7)29(36)38-19-10-20(37-8)22(27(33)34)13(3)12(19)2/h9-10,30-32H,1-8H3,(H,33,34) |
| InChI Key | JBTRJGNHONXFCA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H30O10 |
| Molecular Weight | 538.50 g/mol |
| Exact Mass | 538.18389715 g/mol |
| Topological Polar Surface Area (TPSA) | 160.00 Ų |
| XlogP | 6.80 |
| 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 |
|---|---|---|---|---|
| CHEMBL3194 | P02766 | Transthyretin | 91.16% | 90.71% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 90.17% | 95.50% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 90.04% | 94.42% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.83% | 94.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.38% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.95% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.23% | 96.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.28% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.99% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.89% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.70% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.89% | 99.15% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 81.32% | 90.20% |
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.
| Euphorbia helioscopia |
| PubChem | 11124376 |
| LOTUS | LTS0145361 |
| wikiData | Q105304225 |