Pestalotioprolide F
| Internal ID | 9059d615-4a3b-4864-a887-d40f91019506 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | (3E,5R,6Z,8E,10R,14S)-5,10-dihydroxy-14-methyl-1-oxacyclotetradeca-3,6,8-trien-2-one |
| SMILES (Canonical) | CC1CCCC(C=CC=CC(C=CC(=O)O1)O)O |
| SMILES (Isomeric) | C[C@H]1CCC[C@H](/C=C/C=C\[C@H](/C=C/C(=O)O1)O)O |
| InChI | InChI=1S/C14H20O4/c1-11-5-4-8-12(15)6-2-3-7-13(16)9-10-14(17)18-11/h2-3,6-7,9-13,15-16H,4-5,8H2,1H3/b6-2+,7-3-,10-9+/t11-,12-,13+/m0/s1 |
| InChI Key | VQQVCJCMQFXIEN-UCYAORPRSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C14H20O4 |
| Molecular Weight | 252.31 g/mol |
| Exact Mass | 252.13615911 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 1.80 |
| CHEMBL3891809 |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.01% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.59% | 98.95% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 87.58% | 86.00% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 86.49% | 87.67% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.10% | 93.04% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.82% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.68% | 97.25% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.05% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.83% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.75% | 91.11% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.80% | 92.94% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.22% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.73% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.48% | 95.89% |
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 | 134137016 |
| LOTUS | LTS0099927 |
| wikiData | Q105291432 |