(5S,8'R)-8'-hydroxy-6-methylspiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-5,7'-8H-cyclopenta[g][1,3]benzodioxole]-6'-one
| Internal ID | 9b72c121-65ae-43d4-9cd3-fec9d5377473 |
| Taxonomy | Benzenoids > Indanes > Indanones |
| IUPAC Name | (5S,8'R)-8'-hydroxy-6-methylspiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-5,7'-8H-cyclopenta[g][1,3]benzodioxole]-6'-one |
| SMILES (Canonical) | CN1CCC2=CC3=C(C=C2C14C(C5=C(C4=O)C=CC6=C5OCO6)O)OCO3 |
| SMILES (Isomeric) | CN1CCC2=CC3=C(C=C2[C@@]14[C@@H](C5=C(C4=O)C=CC6=C5OCO6)O)OCO3 |
| InChI | InChI=1S/C20H17NO6/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/h2-3,6-7,19,23H,4-5,8-9H2,1H3/t19-,20-/m1/s1 |
| InChI Key | BQZZTMXCHPNTCL-WOJBJXKFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H17NO6 |
| Molecular Weight | 367.40 g/mol |
| Exact Mass | 367.10558726 g/mol |
| Topological Polar Surface Area (TPSA) | 77.50 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of (5S,8'R)-8'-hydroxy-6-methylspiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-5,7'-8H-cyclopenta[g][1,3]benzodioxole]-6'-one](https://plantaedb.com/storage/docs/compounds/2023/11/592e4f60-83a3-11ee-a093-ef1410c5b90d.jpg "2D Structure of (5S,8'R)-8'-hydroxy-6-methylspiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-5,7'-8H-cyclopenta[g][1,3]benzodioxole]-6'-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.41% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.25% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.03% | 95.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.56% | 96.77% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.55% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.25% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.32% | 86.33% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.94% | 93.40% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.11% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.78% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.47% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.40% | 90.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.27% | 91.49% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.64% | 95.89% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 84.19% | 90.24% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.44% | 95.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.11% | 97.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.72% | 92.62% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 80.28% | 82.67% |
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 paniculigera |
| Corydalis pseudoadunca |
| Corydalis sibirica |
| Corydalis thyrsiflora |
| PubChem | 15070257 |
| LOTUS | LTS0144368 |
| wikiData | Q104251948 |