Preocoteine
| Internal ID | 5b823cc2-04c5-4ff4-adc4-73eea5aa256d |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | (6aS)-2,3,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol |
| SMILES (Canonical) | CN1CCC2=C3C1CC4=CC(=C(C=C4C3=C(C(=C2OC)OC)O)OC)OC |
| SMILES (Isomeric) | CN1CCC2=C3[C@@H]1CC4=CC(=C(C=C4C3=C(C(=C2OC)OC)O)OC)OC |
| InChI | InChI=1S/C21H25NO5/c1-22-7-6-12-17-14(22)8-11-9-15(24-2)16(25-3)10-13(11)18(17)19(23)21(27-5)20(12)26-4/h9-10,14,23H,6-8H2,1-5H3/t14-/m0/s1 |
| InChI Key | XTOKXEQMTBIOGT-AWEZNQCLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H25NO5 |
| Molecular Weight | 371.40 g/mol |
| Exact Mass | 371.17327290 g/mol |
| Topological Polar Surface Area (TPSA) | 60.40 Ų |
| XlogP | 3.00 |
| 18161-86-9 |
| DTXSID60171169 |
| 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 | 98.82% | 96.09% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 96.63% | 95.62% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 95.43% | 91.00% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 95.17% | 91.79% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 93.70% | 95.12% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.53% | 93.40% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.08% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.97% | 90.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.43% | 91.11% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.89% | 92.94% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.98% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.42% | 95.56% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 87.21% | 91.03% |
| CHEMBL1913 | P09619 | Platelet-derived growth factor receptor beta | 86.93% | 95.70% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 86.01% | 82.38% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.95% | 95.89% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.67% | 95.89% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 85.14% | 88.48% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.13% | 93.99% |
| CHEMBL3474 | P14555 | Phospholipase A2 group IIA | 84.67% | 94.05% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.39% | 91.49% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.07% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.89% | 89.00% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 82.98% | 95.34% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.44% | 94.00% |
| CHEMBL4355 | O14976 | Serine/threonine-protein kinase GAK | 81.73% | 89.32% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.66% | 99.17% |
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.
| Ocotea gomezii |
| Ocotea mollicella |
| Thalictrum fendleri |
| Thalictrum flavum |
| Thalictrum isopyroides |
| Thalictrum simplex |
| PubChem | 176968 |
| LOTUS | LTS0143472 |
| wikiData | Q83041263 |