1-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
| Internal ID | ed125d13-56c6-4d6e-a180-435e0f59b783 |
| Taxonomy | Organoheterocyclic compounds > Tetrahydroisoquinolines |
| IUPAC Name | 1-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol |
| SMILES (Canonical) | CN1CCC2=CC(=C(C=C2C1CC3=CC4=C(C=C3)OCO4)O)OC |
| SMILES (Isomeric) | CN1CCC2=CC(=C(C=C2C1CC3=CC4=C(C=C3)OCO4)O)OC |
| InChI | InChI=1S/C19H21NO4/c1-20-6-5-13-9-18(22-2)16(21)10-14(13)15(20)7-12-3-4-17-19(8-12)24-11-23-17/h3-4,8-10,15,21H,5-7,11H2,1-2H3 |
| InChI Key | WGBOKYJTQKZKKN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H21NO4 |
| Molecular Weight | 327.40 g/mol |
| Exact Mass | 327.14705815 g/mol |
| Topological Polar Surface Area (TPSA) | 51.20 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.24% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.94% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.27% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.95% | 96.77% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 96.86% | 96.76% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.86% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.55% | 91.11% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 94.31% | 92.62% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 92.90% | 95.89% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.62% | 93.40% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.58% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.57% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.23% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.86% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.61% | 93.99% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.65% | 90.00% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 86.65% | 82.67% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.97% | 97.25% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.62% | 98.75% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 85.40% | 90.95% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 85.35% | 89.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.20% | 99.17% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 83.15% | 97.50% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.54% | 89.62% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 80.62% | 91.00% |
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.
| Argemone albiflora |
| PubChem | 12204389 |
| LOTUS | LTS0128602 |
| wikiData | Q105304323 |