Thelephantin E
| Internal ID | ebf16a3c-0c19-455f-ad08-9ad977652c78 |
| Taxonomy | Phenylpropanoids and polyketides > Depsides and depsidones |
| IUPAC Name | [2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)-4-(2-phenylacetyl)oxyphenyl] benzoate |
| SMILES (Canonical) | C1=CC=C(C=C1)CC(=O)OC2=C(C(=C(C(=C2C3=CC=C(C=C3)O)O)OC(=O)C4=CC=CC=C4)C5=CC=C(C=C5)O)O |
| SMILES (Isomeric) | C1=CC=C(C=C1)CC(=O)OC2=C(C(=C(C(=C2C3=CC=C(C=C3)O)O)OC(=O)C4=CC=CC=C4)C5=CC=C(C=C5)O)O |
| InChI | InChI=1S/C33H24O8/c34-24-15-11-21(12-16-24)27-30(38)32(41-33(39)23-9-5-2-6-10-23)28(22-13-17-25(35)18-14-22)29(37)31(27)40-26(36)19-20-7-3-1-4-8-20/h1-18,34-35,37-38H,19H2 |
| InChI Key | YCFNLYQTIFFNTO-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C33H24O8 |
| Molecular Weight | 548.50 g/mol |
| Exact Mass | 548.14711772 g/mol |
| Topological Polar Surface Area (TPSA) | 134.00 Ų |
| XlogP | 6.50 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 95.77% | 98.95% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 95.17% | 91.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.39% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.14% | 99.17% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 90.92% | 95.64% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 90.06% | 92.67% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 89.69% | 95.50% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 87.02% | 95.17% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 86.55% | 94.62% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 86.13% | 97.53% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.32% | 96.09% |
| CHEMBL2276 | P45983 | c-Jun N-terminal kinase 1 | 82.26% | 96.90% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.30% | 95.89% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.13% | 99.15% |
| CHEMBL4267 | P37173 | TGF-beta receptor type II | 80.06% | 88.18% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 80.05% | 94.23% |
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 | 139583228 |
| LOTUS | LTS0053018 |
| wikiData | Q75057355 |