[5-[(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]-1,3-benzodioxol-4-yl]methanol
| Internal ID | c24efaa6-b6ad-4073-8289-5b5ea4e4f219 |
| Taxonomy | Organoheterocyclic compounds > Tetrahydroisoquinolines |
| IUPAC Name | [5-[(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]-1,3-benzodioxol-4-yl]methanol |
| SMILES (Canonical) | CN1CCC2=CC3=C(C=C2C1CC4=C(C5=C(C=C4)OCO5)CO)OCO3 |
| SMILES (Isomeric) | CN1CCC2=CC3=C(C=C2C1CC4=C(C5=C(C=C4)OCO5)CO)OCO3 |
| InChI | InChI=1S/C20H21NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(21)6-12-2-3-17-20(15(12)9-22)26-11-23-17/h2-3,7-8,16,22H,4-6,9-11H2,1H3 |
| InChI Key | RQZIWZMFWOGBQK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H21NO5 |
| Molecular Weight | 355.40 g/mol |
| Exact Mass | 355.14197277 g/mol |
| Topological Polar Surface Area (TPSA) | 60.40 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of [5-[(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]-1,3-benzodioxol-4-yl]methanol](https://plantaedb.com/storage/docs/compounds/2023/11/c3a62650-86d4-11ee-b2ee-f5827a6b753f.jpg "2D Structure of [5-[(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]-1,3-benzodioxol-4-yl]methanol")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.73% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.74% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.41% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.91% | 96.77% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.06% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.61% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.31% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.28% | 93.40% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.22% | 92.62% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.19% | 89.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.77% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.55% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.40% | 90.00% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 81.95% | 96.76% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.66% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.56% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.73% | 89.00% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 80.63% | 82.67% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 80.59% | 93.10% |
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 incisa |
| Hypecoum procumbens |
| PubChem | 13997260 |
| LOTUS | LTS0208475 |
| wikiData | Q105243840 |