5-Hydroxy-3'-[3-[5-hydroxy-3'-(3-hydroxyprop-1-en-2-yl)-3-oxospiro[1-benzofuran-2,2'-cyclopentane]-1'-carbonyl]oxyprop-1-en-2-yl]-3-oxospiro[1-benzofuran-2,2'-cyclopentane]-1'-carboxylic acid
| Internal ID | b4bc8568-22a8-49af-92f4-e9e1b95f2974 |
| Taxonomy | Organoheterocyclic compounds > Benzofurans |
| IUPAC Name | 5-hydroxy-3'-[3-[5-hydroxy-3'-(3-hydroxyprop-1-en-2-yl)-3-oxospiro[1-benzofuran-2,2'-cyclopentane]-1'-carbonyl]oxyprop-1-en-2-yl]-3-oxospiro[1-benzofuran-2,2'-cyclopentane]-1'-carboxylic acid |
| SMILES (Canonical) | C=C(CO)C1CCC(C12C(=O)C3=C(O2)C=CC(=C3)O)C(=O)OCC(=C)C4CCC(C45C(=O)C6=C(O5)C=CC(=C6)O)C(=O)O |
| SMILES (Isomeric) | C=C(CO)C1CCC(C12C(=O)C3=C(O2)C=CC(=C3)O)C(=O)OCC(=C)C4CCC(C45C(=O)C6=C(O5)C=CC(=C6)O)C(=O)O |
| InChI | InChI=1S/C32H30O11/c1-15(13-33)21-6-8-24(32(21)28(37)20-12-18(35)4-10-26(20)43-32)30(40)41-14-16(2)22-5-7-23(29(38)39)31(22)27(36)19-11-17(34)3-9-25(19)42-31/h3-4,9-12,21-24,33-35H,1-2,5-8,13-14H2,(H,38,39) |
| InChI Key | DGLHQRMXGDBMDN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H30O11 |
| Molecular Weight | 590.60 g/mol |
| Exact Mass | 590.17881177 g/mol |
| Topological Polar Surface Area (TPSA) | 177.00 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of 5-Hydroxy-3'-[3-[5-hydroxy-3'-(3-hydroxyprop-1-en-2-yl)-3-oxospiro[1-benzofuran-2,2'-cyclopentane]-1'-carbonyl]oxyprop-1-en-2-yl]-3-oxospiro[1-benzofuran-2,2'-cyclopentane]-1'-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/a80a5140-86d0-11ee-83fc-4f1866075a08.jpg "2D Structure of 5-Hydroxy-3'-[3-[5-hydroxy-3'-(3-hydroxyprop-1-en-2-yl)-3-oxospiro[1-benzofuran-2,2'-cyclopentane]-1'-carbonyl]oxyprop-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 | 98.22% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.03% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.06% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.19% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.54% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.22% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.97% | 89.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 86.60% | 94.62% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 85.59% | 94.80% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.98% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.86% | 99.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.15% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.27% | 91.19% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 81.86% | 94.97% |
| CHEMBL3194 | P02766 | Transthyretin | 81.00% | 90.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.16% | 100.00% |
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 | 162852742 |
| LOTUS | LTS0236366 |
| wikiData | Q103818368 |