5-hydroxy-3-[9-(2-hydroxy-5-methyloxolan-2-yl)nonyl]-7-methoxy-3H-2-benzofuran-1-one
| Internal ID | 31372fae-520e-4afd-9a1a-fd2df648a4f5 |
| Taxonomy | Organoheterocyclic compounds > Benzofurans > Benzofuranones |
| IUPAC Name | 5-hydroxy-3-[9-(2-hydroxy-5-methyloxolan-2-yl)nonyl]-7-methoxy-3H-2-benzofuran-1-one |
| SMILES (Canonical) | CC1CCC(O1)(CCCCCCCCCC2C3=C(C(=CC(=C3)O)OC)C(=O)O2)O |
| SMILES (Isomeric) | CC1CCC(O1)(CCCCCCCCCC2C3=C(C(=CC(=C3)O)OC)C(=O)O2)O |
| InChI | InChI=1S/C23H34O6/c1-16-11-13-23(26,29-16)12-9-7-5-3-4-6-8-10-19-18-14-17(24)15-20(27-2)21(18)22(25)28-19/h14-16,19,24,26H,3-13H2,1-2H3 |
| InChI Key | FEOQJESGRFUTMF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H34O6 |
| Molecular Weight | 406.50 g/mol |
| Exact Mass | 406.23553880 g/mol |
| Topological Polar Surface Area (TPSA) | 85.20 Ų |
| XlogP | 5.20 |
| There are no found synonyms. |
![2D Structure of 5-hydroxy-3-[9-(2-hydroxy-5-methyloxolan-2-yl)nonyl]-7-methoxy-3H-2-benzofuran-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/5-hydroxy-3-9-2-hydroxy-5-methyloxolan-2-ylnonyl-7-methoxy-3h-2-benzofuran-1-one.jpg "2D Structure of 5-hydroxy-3-[9-(2-hydroxy-5-methyloxolan-2-yl)nonyl]-7-methoxy-3H-2-benzofuran-1-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 | 99.58% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.53% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.79% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.73% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.75% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.92% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.45% | 99.17% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.23% | 93.40% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.31% | 94.45% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 88.11% | 82.38% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.27% | 89.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.24% | 97.14% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.80% | 93.99% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.68% | 94.75% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.26% | 95.89% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.97% | 95.89% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.20% | 91.07% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.46% | 92.62% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 83.21% | 97.05% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.83% | 92.94% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.11% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.34% | 94.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.14% | 85.14% |
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.
| Crocus sativus |
| Gardenia jasminoides |
| PubChem | 14488657 |
| LOTUS | LTS0040799 |
| wikiData | Q105384294 |