7,9-dihydroxy-4-(2-hydroxypropyl)-4,5-dihydro-1H-3-benzoxocine-2,6-dione
| Internal ID | af08c6e2-9acc-42cb-b286-52fde99ad490 |
| Taxonomy | Organoheterocyclic compounds > Oxocins |
| IUPAC Name | 7,9-dihydroxy-4-(2-hydroxypropyl)-4,5-dihydro-1H-3-benzoxocine-2,6-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C14H16O6/c1-7(15)2-10-6-12(18)14-8(4-13(19)20-10)3-9(16)5-11(14)17/h3,5,7,10,15-17H,2,4,6H2,1H3 |
| InChI Key | GYYFBOIZUIUNPL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H16O6 |
| Molecular Weight | 280.27 g/mol |
| Exact Mass | 280.09468823 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 1.20 |
| 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 | 98.39% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.19% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.85% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.42% | 90.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.30% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.42% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.83% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.72% | 95.56% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 88.63% | 96.12% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.16% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.69% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.62% | 90.71% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.67% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.81% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.54% | 86.33% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.33% | 93.40% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 81.51% | 85.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.46% | 89.00% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 81.32% | 83.10% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.96% | 95.89% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 80.90% | 80.00% |
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.
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| There are no matching plants. |
| PubChem | 139585131 |
| LOTUS | LTS0214924 |
| wikiData | Q77384500 |