2,3,4'-trihydroxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-6,7-dihydro-3H-furo[3,2-g]isoindole]-8'-one
| Internal ID | a7c2f800-c703-4efc-a07c-9ee03d7d3879 |
| Taxonomy | Organoheterocyclic compounds > Isoindoles and derivatives > Isoindolines > Isoindolones |
| IUPAC Name | 2,3,4'-trihydroxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-6,7-dihydro-3H-furo[3,2-g]isoindole]-8'-one |
| SMILES (Canonical) | CC1CCC2C(C(C(CC2(C13CC4=C(C=C5CNC(=O)C5=C4O3)O)C)O)O)(C)C |
| SMILES (Isomeric) | CC1CCC2C(C(C(CC2(C13CC4=C(C=C5CNC(=O)C5=C4O3)O)C)O)O)(C)C |
| InChI | InChI=1S/C23H31NO5/c1-11-5-6-16-21(2,3)19(27)15(26)9-22(16,4)23(11)8-13-14(25)7-12-10-24-20(28)17(12)18(13)29-23/h7,11,15-16,19,25-27H,5-6,8-10H2,1-4H3,(H,24,28) |
| InChI Key | NAYYHXFGJRKHMB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H31NO5 |
| Molecular Weight | 401.50 g/mol |
| Exact Mass | 401.22022309 g/mol |
| Topological Polar Surface Area (TPSA) | 99.00 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of 2,3,4'-trihydroxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-6,7-dihydro-3H-furo[3,2-g]isoindole]-8'-one](https://plantaedb.com/storage/docs/compounds/2023/11/c91bb450-85b0-11ee-ad48-6169c07516b7.jpg "2D Structure of 2,3,4'-trihydroxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-6,7-dihydro-3H-furo[3,2-g]isoindole]-8'-one")
| 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 | 99.51% | 91.11% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 95.97% | 95.64% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.63% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.18% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.14% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.68% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.92% | 89.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.62% | 93.40% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 91.94% | 91.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.19% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.82% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.48% | 92.94% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 87.53% | 80.00% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 87.31% | 85.30% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.20% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.31% | 95.56% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 85.83% | 85.11% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 84.63% | 92.88% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.12% | 94.00% |
| CHEMBL2850 | P49840 | Glycogen synthase kinase-3 alpha | 83.80% | 88.84% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.24% | 85.14% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.12% | 93.03% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.50% | 90.71% |
| CHEMBL2708 | Q16584 | Mitogen-activated protein kinase kinase kinase 11 | 81.02% | 81.14% |
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 | 85121977 |
| LOTUS | LTS0235113 |
| wikiData | Q104172240 |