Pestaloficiol Q
| Internal ID | f6fb2e45-a28c-4bdf-a469-6af33d71a442 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans |
| IUPAC Name | [(6S)-6-hydroxy-2,2-dimethyl-8-(3-methylbut-2-enyl)-7-oxo-5,6-dihydro-3H-chromen-4-yl] acetate |
| SMILES (Canonical) | CC(=CCC1=C2C(=C(CC(O2)(C)C)OC(=O)C)CC(C1=O)O)C |
| SMILES (Isomeric) | CC(=CCC1=C2C(=C(CC(O2)(C)C)OC(=O)C)C[C@@H](C1=O)O)C |
| InChI | InChI=1S/C18H24O5/c1-10(2)6-7-12-16(21)14(20)8-13-15(22-11(3)19)9-18(4,5)23-17(12)13/h6,14,20H,7-9H2,1-5H3/t14-/m0/s1 |
| InChI Key | QOWLJPDMUSNARC-AWEZNQCLSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H24O5 |
| Molecular Weight | 320.40 g/mol |
| Exact Mass | 320.16237386 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 2.10 |
| 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 | 95.91% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.41% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.81% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.24% | 96.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.97% | 91.07% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.89% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.94% | 99.23% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.17% | 96.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.89% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.45% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.62% | 89.00% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 81.59% | 85.30% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.32% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.29% | 91.19% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.83% | 94.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.71% | 94.73% |
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 | 139584727 |
| LOTUS | LTS0205171 |
| wikiData | Q77374767 |