1,9,10-Trimethoxy-2,3-methylenedioxyaporphine
| Internal ID | 3fed7a5f-dcfb-43db-b567-52c5d6fa1d70 |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | 2,16,17-trimethoxy-11-methyl-4,6-dioxa-11-azapentacyclo[10.7.1.03,7.08,20.014,19]icosa-1,3(7),8(20),14,16,18-hexaene |
| SMILES (Canonical) | CN1CCC2=C3C1CC4=CC(=C(C=C4C3=C(C5=C2OCO5)OC)OC)OC |
| SMILES (Isomeric) | CN1CCC2=C3C1CC4=CC(=C(C=C4C3=C(C5=C2OCO5)OC)OC)OC |
| InChI | InChI=1S/C21H23NO5/c1-22-6-5-12-17-14(22)7-11-8-15(23-2)16(24-3)9-13(11)18(17)20(25-4)21-19(12)26-10-27-21/h8-9,14H,5-7,10H2,1-4H3 |
| InChI Key | SIUUPYUVEJGARI-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C21H23NO5 |
| Molecular Weight | 369.40 g/mol |
| Exact Mass | 369.15762283 g/mol |
| Topological Polar Surface Area (TPSA) | 49.40 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.19% | 96.09% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 97.17% | 95.12% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.07% | 96.77% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.69% | 93.40% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 91.69% | 91.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.83% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.23% | 86.33% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 89.12% | 82.67% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.01% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.38% | 98.75% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 88.36% | 82.38% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.87% | 98.95% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 86.51% | 96.76% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 86.42% | 95.62% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.59% | 89.62% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.56% | 92.62% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 85.39% | 88.48% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.29% | 91.11% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 85.15% | 96.86% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.03% | 95.89% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 84.84% | 83.14% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 84.81% | 90.95% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 84.20% | 91.03% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.55% | 89.50% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 83.45% | 92.38% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 82.33% | 91.79% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 82.30% | 95.78% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 82.24% | 95.34% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.17% | 89.00% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 82.11% | 95.53% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.04% | 94.00% |
| CHEMBL6031 | Q9H9B1 | Histone-lysine N-methyltransferase, H3 lysine-9 specific 5 | 80.89% | 94.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.43% | 92.94% |
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.
| Thalictrum baicalense |
| PubChem | 21769907 |
| LOTUS | LTS0021948 |
| wikiData | Q105254076 |