Pestaloficiol J
| Internal ID | b813199b-5468-4ce5-8dc4-32444ee0344a |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > 2,2-dimethyl-1-benzopyrans |
| IUPAC Name | 6-hydroxy-2,2-dimethyl-8-(3-methylbut-2-enyl)-3H-chromen-4-one |
| SMILES (Canonical) | CC(=CCC1=C2C(=CC(=C1)O)C(=O)CC(O2)(C)C)C |
| SMILES (Isomeric) | CC(=CCC1=C2C(=CC(=C1)O)C(=O)CC(O2)(C)C)C |
| InChI | InChI=1S/C16H20O3/c1-10(2)5-6-11-7-12(17)8-13-14(18)9-16(3,4)19-15(11)13/h5,7-8,17H,6,9H2,1-4H3 |
| InChI Key | MQRXYQNCQPECMC-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C16H20O3 |
| Molecular Weight | 260.33 g/mol |
| Exact Mass | 260.14124450 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 3.60 |
| CHEMBL1080258 |
| 6-hydroxy-2,2-dimethyl-8-(3-methylbut-2-enyl)chroman-4-one |
| 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 | 99.21% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.56% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.44% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.26% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.02% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.99% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.11% | 89.00% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 86.11% | 93.10% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.01% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.46% | 90.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.23% | 94.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.06% | 99.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.93% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.45% | 85.14% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.35% | 97.28% |
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 | 44254252 |
| LOTUS | LTS0042525 |
| wikiData | Q75069578 |