Peniciisocoumarin G
| Internal ID | 2bb52d5d-967c-4aa5-8a96-0652e73bece4 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 2-benzopyrans |
| IUPAC Name | 3-[(3R)-8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl]propyl acetate |
| SMILES (Canonical) | CC(=O)OCCCC1CC2=C(C(=CC=C2)O)C(=O)O1 |
| SMILES (Isomeric) | CC(=O)OCCC[C@@H]1CC2=C(C(=CC=C2)O)C(=O)O1 |
| InChI | InChI=1S/C14H16O5/c1-9(15)18-7-3-5-11-8-10-4-2-6-12(16)13(10)14(17)19-11/h2,4,6,11,16H,3,5,7-8H2,1H3/t11-/m1/s1 |
| InChI Key | OHMYJINCWDRKPS-LLVKDONJSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C14H16O5 |
| Molecular Weight | 264.27 g/mol |
| Exact Mass | 264.09977361 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 2.70 |
| CHEMBL4440673 |
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.89% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.40% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.41% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.42% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.73% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.72% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.35% | 86.33% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 90.05% | 95.62% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.98% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.90% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.51% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.83% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.39% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.13% | 97.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.11% | 94.00% |
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 | 145720899 |
| LOTUS | LTS0097108 |
| wikiData | Q105192156 |