Talarodilactone A
| Internal ID | 6ca4d23d-5ed2-4f62-a42a-59e445e8e57d |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | [(4S,8S)-14,16-dihydroxy-4-methyl-2,10-dioxo-3-oxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-8-yl] (2R)-4-hydroxy-2-(3-methoxy-3-oxopropyl)-5-oxo-3-phenylfuran-2-carboxylate |
| SMILES (Canonical) | CC1CCCC(CC(=O)CC2=C(C(=CC(=C2)O)O)C(=O)O1)OC(=O)C3(C(=C(C(=O)O3)O)C4=CC=CC=C4)CCC(=O)OC |
| SMILES (Isomeric) | C[C@H]1CCC[C@@H](CC(=O)CC2=C(C(=CC(=C2)O)O)C(=O)O1)OC(=O)[C@]3(C(=C(C(=O)O3)O)C4=CC=CC=C4)CCC(=O)OC |
| InChI | InChI=1S/C31H32O12/c1-17-7-6-10-22(15-20(32)13-19-14-21(33)16-23(34)25(19)28(37)41-17)42-30(39)31(12-11-24(35)40-2)26(27(36)29(38)43-31)18-8-4-3-5-9-18/h3-5,8-9,14,16-17,22,33-34,36H,6-7,10-13,15H2,1-2H3/t17-,22-,31+/m0/s1 |
| InChI Key | FZQBVILAADTZJV-NQVYGRNNSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C31H32O12 |
| Molecular Weight | 596.60 g/mol |
| Exact Mass | 596.18937645 g/mol |
| Topological Polar Surface Area (TPSA) | 183.00 Ų |
| XlogP | 3.80 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.76% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.06% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.50% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.08% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.82% | 85.14% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.13% | 91.49% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.33% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.16% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.02% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.41% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.30% | 99.23% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.83% | 91.07% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.87% | 95.50% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 86.54% | 96.00% |
| CHEMBL5028 | O14672 | ADAM10 | 86.38% | 97.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.31% | 89.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.16% | 97.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.17% | 92.62% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 83.04% | 96.21% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.03% | 94.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.43% | 91.19% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.62% | 93.03% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.57% | 92.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.59% | 95.89% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.05% | 96.00% |
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 | 139590528 |
| LOTUS | LTS0113587 |
| wikiData | Q105005114 |