5-Hydroxy-3'-(3-hydroxyprop-1-en-2-yl)-3-oxospiro[1-benzofuran-2,2'-cyclopentane]-1'-carboxylic acid
| Internal ID | b3f0a16f-d21c-4951-ac58-291d62a56b31 |
| Taxonomy | Organoheterocyclic compounds > Benzofurans |
| IUPAC Name | 5-hydroxy-3'-(3-hydroxyprop-1-en-2-yl)-3-oxospiro[1-benzofuran-2,2'-cyclopentane]-1'-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H16O6/c1-8(7-17)11-3-4-12(15(20)21)16(11)14(19)10-6-9(18)2-5-13(10)22-16/h2,5-6,11-12,17-18H,1,3-4,7H2,(H,20,21) |
| InChI Key | AUTTVRRIMYDHJY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H16O6 |
| Molecular Weight | 304.29 g/mol |
| Exact Mass | 304.09468823 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
![2D Structure of 5-Hydroxy-3'-(3-hydroxyprop-1-en-2-yl)-3-oxospiro[1-benzofuran-2,2'-cyclopentane]-1'-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/5-hydroxy-3-3-hydroxyprop-1-en-2-yl-3-oxospiro1-benzofuran-22-cyclopentane-1-carboxylic-acid.jpg "2D Structure of 5-Hydroxy-3'-(3-hydroxyprop-1-en-2-yl)-3-oxospiro[1-benzofuran-2,2'-cyclopentane]-1'-carboxylic acid")
| 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 | 98.72% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.89% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.47% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.93% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.31% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.32% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.87% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.98% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.73% | 95.89% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.18% | 83.82% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 81.89% | 93.18% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.65% | 95.89% |
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 | 162823172 |
| LOTUS | LTS0117037 |
| wikiData | Q103816447 |