Methyl 5-hydroxy-3'-(1-hydroxypropan-2-yl)-3-oxospiro[1-benzofuran-2,2'-cyclopentane]-1'-carboxylate
| Internal ID | 2dbd2f90-33aa-4772-b8e8-b289e712f321 |
| Taxonomy | Organoheterocyclic compounds > Benzofurans |
| IUPAC Name | methyl 5-hydroxy-3'-(1-hydroxypropan-2-yl)-3-oxospiro[1-benzofuran-2,2'-cyclopentane]-1'-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H20O6/c1-9(8-18)12-4-5-13(16(21)22-2)17(12)15(20)11-7-10(19)3-6-14(11)23-17/h3,6-7,9,12-13,18-19H,4-5,8H2,1-2H3 |
| InChI Key | CJKHTLRUBMTPPH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H20O6 |
| Molecular Weight | 320.30 g/mol |
| Exact Mass | 320.12598835 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of Methyl 5-hydroxy-3'-(1-hydroxypropan-2-yl)-3-oxospiro[1-benzofuran-2,2'-cyclopentane]-1'-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-5-hydroxy-3-1-hydroxypropan-2-yl-3-oxospiro1-benzofuran-22-cyclopentane-1-carboxylate.jpg "2D Structure of Methyl 5-hydroxy-3'-(1-hydroxypropan-2-yl)-3-oxospiro[1-benzofuran-2,2'-cyclopentane]-1'-carboxylate")
| 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 | 99.29% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.30% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.66% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.91% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.56% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.51% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.04% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.80% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.39% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.22% | 89.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.00% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.42% | 99.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.16% | 91.19% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 82.33% | 89.67% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.39% | 86.33% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.67% | 94.80% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.49% | 97.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.13% | 98.75% |
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 | 162815973 |
| LOTUS | LTS0133363 |
| wikiData | Q103817782 |