1,2,10-Trimethoxy-3,9-dihydroxy-aporphine
| Internal ID | d4474791-dd51-4c91-8fee-29dd921392f0 |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | 1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-3,9-diol |
| SMILES (Canonical) | CN1CCC2=C3C1CC4=CC(=C(C=C4C3=C(C(=C2O)OC)OC)OC)O |
| SMILES (Isomeric) | CN1CCC2=C3C1CC4=CC(=C(C=C4C3=C(C(=C2O)OC)OC)OC)O |
| InChI | InChI=1S/C20H23NO5/c1-21-6-5-11-16-13(21)7-10-8-14(22)15(24-2)9-12(10)17(16)19(25-3)20(26-4)18(11)23/h8-9,13,22-23H,5-7H2,1-4H3 |
| InChI Key | QXYCMLRBKSSDAI-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H23NO5 |
| Molecular Weight | 357.40 g/mol |
| Exact Mass | 357.15762283 g/mol |
| Topological Polar Surface Area (TPSA) | 71.40 Ų |
| XlogP | 2.70 |
| 1,2,10-trimethoxy-3,9-dihydroxy-aporphine |
| 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 | 99.13% | 96.09% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 98.20% | 95.62% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 96.57% | 91.79% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 95.82% | 91.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.32% | 91.11% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 92.98% | 91.03% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.93% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.90% | 90.00% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 92.48% | 95.12% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.35% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.44% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 90.35% | 93.40% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 89.95% | 88.48% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.06% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.00% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.95% | 98.75% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.60% | 89.62% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 86.42% | 82.38% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.74% | 89.00% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 83.42% | 96.86% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.41% | 92.94% |
| CHEMBL1913 | P09619 | Platelet-derived growth factor receptor beta | 83.31% | 95.70% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.11% | 85.14% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 83.08% | 95.34% |
| CHEMBL3474 | P14555 | Phospholipase A2 group IIA | 83.04% | 94.05% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.01% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.37% | 99.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.75% | 95.89% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.36% | 89.50% |
| CHEMBL4355 | O14976 | Serine/threonine-protein kinase GAK | 80.23% | 89.32% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.09% | 90.71% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.00% | 93.03% |
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.
| Delphinium dictyocarpum |
| Thalictrum isopyroides |
| PubChem | 21769949 |
| LOTUS | LTS0077335 |
| wikiData | Q105229965 |