4,12-Dimethoxy-17-methyl-18-oxa-17-azapentacyclo[8.4.3.18,11.01,10.02,7]octadeca-2(7),3,5-triene-3,11,13-triol
| Internal ID | 377c0155-98f8-4cab-a664-d433f02efe9b |
| Taxonomy | Alkaloids and derivatives > Hasubanan alkaloids |
| IUPAC Name | 4,12-dimethoxy-17-methyl-18-oxa-17-azapentacyclo[8.4.3.18,11.01,10.02,7]octadeca-2(7),3,5-triene-3,11,13-triol |
| SMILES (Canonical) | CN1CCC23C14CC(C5=C2C(=C(C=C5)OC)O)OC4(C(C(C3)O)OC)O |
| SMILES (Isomeric) | CN1CCC23C14CC(C5=C2C(=C(C=C5)OC)O)OC4(C(C(C3)O)OC)O |
| InChI | InChI=1S/C19H25NO6/c1-20-7-6-17-8-11(21)16(25-3)19(23)18(17,20)9-13(26-19)10-4-5-12(24-2)15(22)14(10)17/h4-5,11,13,16,21-23H,6-9H2,1-3H3 |
| InChI Key | UHRGPVJRLXHZFG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H25NO6 |
| Molecular Weight | 363.40 g/mol |
| Exact Mass | 363.16818752 g/mol |
| Topological Polar Surface Area (TPSA) | 91.60 Ų |
| XlogP | 0.00 |
| There are no found synonyms. |
![2D Structure of 4,12-Dimethoxy-17-methyl-18-oxa-17-azapentacyclo[8.4.3.18,11.01,10.02,7]octadeca-2(7),3,5-triene-3,11,13-triol](https://plantaedb.com/storage/docs/compounds/2023/11/0adfa440-8502-11ee-a5f4-f14e93503126.jpg "2D Structure of 4,12-Dimethoxy-17-methyl-18-oxa-17-azapentacyclo[8.4.3.18,11.01,10.02,7]octadeca-2(7),3,5-triene-3,11,13-triol")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL236 | P41143 | Delta opioid receptor |
700 nM |
IC50 |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.19% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.26% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 94.32% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.34% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.01% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.46% | 94.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 91.22% | 91.03% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.90% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.17% | 86.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.04% | 97.25% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.95% | 89.62% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 85.37% | 96.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.28% | 97.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.22% | 89.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.22% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.88% | 95.56% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.54% | 92.94% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 81.31% | 91.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.81% | 98.75% |
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.
| Stephania longa |
| PubChem | 73810163 |
| LOTUS | LTS0126456 |
| wikiData | Q105273057 |