(6S,7R,8S)-6'-methylspiro[6,8-dihydrocyclopenta[g][1,3]benzodioxole-7,5'-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline]-6,8-diol
| Internal ID | ddfd3329-99c4-4085-a5f5-e6920602b8f2 |
| Taxonomy | Organoheterocyclic compounds > Tetrahydroisoquinolines |
| IUPAC Name | (6S,7R,8S)-6'-methylspiro[6,8-dihydrocyclopenta[g][1,3]benzodioxole-7,5'-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline]-6,8-diol |
| SMILES (Canonical) | CN1CCC2=CC3=C(C=C2C14C(C5=C(C4O)C6=C(C=C5)OCO6)O)OCO3 |
| SMILES (Isomeric) | CN1CCC2=CC3=C(C=C2[C@]14[C@H](C5=C([C@@H]4O)C6=C(C=C5)OCO6)O)OCO3 |
| InChI | InChI=1S/C20H19NO6/c1-21-5-4-10-6-14-15(26-8-25-14)7-12(10)20(21)18(22)11-2-3-13-17(27-9-24-13)16(11)19(20)23/h2-3,6-7,18-19,22-23H,4-5,8-9H2,1H3/t18-,19-,20+/m0/s1 |
| InChI Key | JQOTXJRWMCMWBT-SLFFLAALSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H19NO6 |
| Molecular Weight | 369.40 g/mol |
| Exact Mass | 369.12123733 g/mol |
| Topological Polar Surface Area (TPSA) | 80.60 Ų |
| XlogP | 1.00 |
| There are no found synonyms. |
![2D Structure of (6S,7R,8S)-6'-methylspiro[6,8-dihydrocyclopenta[g][1,3]benzodioxole-7,5'-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline]-6,8-diol](https://plantaedb.com/storage/docs/compounds/2023/11/9f87a4b0-8568-11ee-b2c9-3be5ad3fae4d.jpg "2D Structure of (6S,7R,8S)-6'-methylspiro[6,8-dihydrocyclopenta[g][1,3]benzodioxole-7,5'-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline]-6,8-diol")
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.71% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.53% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.53% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.21% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.99% | 96.77% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.94% | 86.33% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.71% | 93.40% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.26% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.26% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.45% | 94.45% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 86.41% | 90.24% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.75% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.15% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.56% | 92.62% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.17% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.04% | 89.00% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 80.39% | 97.50% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.19% | 95.93% |
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.
| Corydalis sibirica |
| Corydalis vaginans |
| Pseudofumaria lutea |
| PubChem | 102118262 |
| LOTUS | LTS0185506 |
| wikiData | Q105133573 |