(3R,4aS,7R,8R,8aR)-3,4'-dihydroxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-furo[3,2-f]isoindole]-5',7'-dione
| Internal ID | 58d86560-5062-4edc-8cc4-65b3bd8485cc |
| Taxonomy | Organoheterocyclic compounds > Isoindoles and derivatives > Isoindolines > Isoindolones |
| IUPAC Name | (3R,4aS,7R,8R,8aR)-3,4'-dihydroxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-furo[3,2-f]isoindole]-5',7'-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H29NO5/c1-11-5-6-15-21(2,3)16(25)7-8-22(15,4)23(11)10-13-14(29-23)9-12-17(18(13)26)20(28)24-19(12)27/h9,11,15-16,25-26H,5-8,10H2,1-4H3,(H,24,27,28)/t11-,15+,16-,22-,23-/m1/s1 |
| InChI Key | MOKUWDUXHMMMFK-BEQKYCEESA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C23H29NO5 |
| Molecular Weight | 399.50 g/mol |
| Exact Mass | 399.20457303 g/mol |
| Topological Polar Surface Area (TPSA) | 95.90 Ų |
| XlogP | 4.20 |
| There are no found synonyms. |
![2D Structure of (3R,4aS,7R,8R,8aR)-3,4'-dihydroxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-furo[3,2-f]isoindole]-5',7'-dione](https://plantaedb.com/storage/docs/compounds/2023/11/b4691150-8600-11ee-b821-43487c582723.jpg "2D Structure of (3R,4aS,7R,8R,8aR)-3,4'-dihydroxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-furo[3,2-f]isoindole]-5',7'-dione")
| 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 | 99.25% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.64% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.13% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.43% | 97.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.04% | 93.40% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.99% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.28% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.34% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.02% | 90.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.87% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.40% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.29% | 95.89% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 89.03% | 95.64% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.14% | 96.77% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 87.45% | 96.21% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 86.79% | 86.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.89% | 91.49% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 85.19% | 85.11% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.39% | 92.94% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 83.96% | 92.88% |
| CHEMBL2850 | P49840 | Glycogen synthase kinase-3 alpha | 82.91% | 88.84% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.41% | 86.33% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.27% | 91.03% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.22% | 93.03% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.22% | 82.69% |
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 | 162971135 |
| LOTUS | LTS0222424 |
| wikiData | Q105168966 |