(12R)-7,16,17-trimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14,16,18-hexaene
| Internal ID | 022b5eb5-1630-4d2e-bd55-bebdee859b77 |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | (12R)-7,16,17-trimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14,16,18-hexaene |
| SMILES (Canonical) | CN1CCC2=C3C1CC4=CC(=C(C=C4C3=C5C(=C2OC)OCO5)OC)OC |
| SMILES (Isomeric) | CN1CCC2=C3[C@H]1CC4=CC(=C(C=C4C3=C5C(=C2OC)OCO5)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)20-21(19(12)25-4)27-10-26-20/h8-9,14H,5-7,10H2,1-4H3/t14-/m1/s1 |
| InChI Key | XEZKWYLHAOYOCL-CQSZACIVSA-N |
| Popularity | 0 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. |
![2D Structure of (12R)-7,16,17-trimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14,16,18-hexaene](https://plantaedb.com/storage/docs/compounds/2023/11/9c3d2e70-8581-11ee-ad7e-4d8415a9ac3d.jpg "2D Structure of (12R)-7,16,17-trimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14,16,18-hexaene")
| 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 | 98.28% | 96.09% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 97.07% | 95.12% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.80% | 96.77% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.57% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.64% | 95.56% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 91.38% | 91.00% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 90.34% | 82.67% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.96% | 86.33% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 89.88% | 96.76% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.18% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.74% | 98.95% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 88.53% | 82.38% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 86.45% | 96.86% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 86.30% | 95.53% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 85.39% | 92.38% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.39% | 98.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.26% | 92.62% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 85.06% | 90.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.48% | 95.89% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 84.31% | 95.62% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.08% | 89.62% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 83.95% | 91.79% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.94% | 92.94% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.78% | 93.99% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.41% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.29% | 94.00% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 83.02% | 88.48% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.72% | 89.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.68% | 89.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.45% | 95.89% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 82.23% | 95.34% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 80.95% | 95.78% |
| CHEMBL6031 | Q9H9B1 | Histone-lysine N-methyltransferase, H3 lysine-9 specific 5 | 80.89% | 94.33% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 80.73% | 99.18% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.01% | 91.03% |
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.
| Thalictrum fendleri |
| Thalictrum simplex |
| PubChem | 1600002 |
| LOTUS | LTS0211740 |
| wikiData | Q105326853 |