3'-[7-Carboxy-7-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-3-formyl-8-hydroxy-1-bicyclo[3.3.1]non-3-enyl]-5-hydroxy-3-oxospiro[1-benzofuran-2,2'-cyclopentane]-1'-carboxylic acid
| Internal ID | 4f593ff0-d5db-41ea-997d-5043eefcd6c2 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones |
| IUPAC Name | 3'-[7-carboxy-7-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-3-formyl-8-hydroxy-1-bicyclo[3.3.1]non-3-enyl]-5-hydroxy-3-oxospiro[1-benzofuran-2,2'-cyclopentane]-1'-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H30O12/c33-14-16-7-15-10-30(12-16,28(41)31(11-15,29(42)43)13-23(37)19-8-17(34)1-4-22(19)36)25-6-3-21(27(39)40)32(25)26(38)20-9-18(35)2-5-24(20)44-32/h1-2,4-5,7-9,14-15,21,25,28,34-36,41H,3,6,10-13H2,(H,39,40)(H,42,43) |
| InChI Key | FJKXTYHCAANBDR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H30O12 |
| Molecular Weight | 606.60 g/mol |
| Exact Mass | 606.17372639 g/mol |
| Topological Polar Surface Area (TPSA) | 216.00 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of 3'-[7-Carboxy-7-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-3-formyl-8-hydroxy-1-bicyclo[3.3.1]non-3-enyl]-5-hydroxy-3-oxospiro[1-benzofuran-2,2'-cyclopentane]-1'-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/f6678e80-852e-11ee-bfd7-0b6997cbf77f.jpg "2D Structure of 3'-[7-Carboxy-7-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-3-formyl-8-hydroxy-1-bicyclo[3.3.1]non-3-enyl]-5-hydroxy-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 | 99.20% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.50% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.75% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.63% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.28% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.65% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.43% | 96.09% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 88.04% | 90.24% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.87% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.84% | 90.00% |
| CHEMBL236 | P41143 | Delta opioid receptor | 87.58% | 99.35% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.87% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.52% | 90.71% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.36% | 93.40% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.35% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.95% | 99.17% |
| CHEMBL3194 | P02766 | Transthyretin | 83.35% | 90.71% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 82.92% | 85.00% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 82.00% | 93.18% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.38% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.14% | 92.94% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.80% | 93.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.76% | 95.93% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.49% | 99.23% |
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 | 139586449 |
| LOTUS | LTS0183157 |
| wikiData | Q77506703 |