4,15,16-Trimethoxy-20-methyl-6,8-dioxa-20-azapentacyclo[10.7.1.02,10.05,9.013,18]icosa-2,4,9,13,15,17-hexaene
| Internal ID | bf7ccdf1-b5f3-4c05-97ac-2a36dbb95e63 |
| Taxonomy | Alkaloids and derivatives > Pavine alkaloids |
| IUPAC Name | 4,15,16-trimethoxy-20-methyl-6,8-dioxa-20-azapentacyclo[10.7.1.02,10.05,9.013,18]icosa-2,4,9,13,15,17-hexaene |
| SMILES (Canonical) | CN1C2CC3=CC(=C(C=C3C1CC4=C5C(=C(C=C24)OC)OCO5)OC)OC |
| SMILES (Isomeric) | CN1C2CC3=CC(=C(C=C3C1CC4=C5C(=C(C=C24)OC)OCO5)OC)OC |
| InChI | InChI=1S/C21H23NO5/c1-22-15-5-11-6-17(23-2)18(24-3)8-12(11)16(22)7-14-13(15)9-19(25-4)21-20(14)26-10-27-21/h6,8-9,15-16H,5,7,10H2,1-4H3 |
| InChI Key | YBVJDCRNESZKBH-UHFFFAOYSA-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 | 3.10 |
| There are no found synonyms. |
![2D Structure of 4,15,16-Trimethoxy-20-methyl-6,8-dioxa-20-azapentacyclo[10.7.1.02,10.05,9.013,18]icosa-2,4,9,13,15,17-hexaene](https://plantaedb.com/storage/docs/compounds/2023/11/42e5b290-84ae-11ee-b92d-4f4d2f649690.jpg "2D Structure of 4,15,16-Trimethoxy-20-methyl-6,8-dioxa-20-azapentacyclo[10.7.1.02,10.05,9.013,18]icosa-2,4,9,13,15,17-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 | 98.17% | 96.09% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 94.99% | 89.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.60% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.63% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.77% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.19% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.21% | 92.62% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.01% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.84% | 94.45% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.40% | 93.99% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.32% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.07% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.76% | 97.25% |
| CHEMBL5896 | O75164 | Lysine-specific demethylase 4A | 83.62% | 99.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.40% | 90.71% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.29% | 96.77% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 82.58% | 82.67% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.32% | 98.75% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 82.20% | 88.48% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.65% | 89.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.37% | 89.50% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 81.28% | 96.86% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 80.41% | 95.12% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.31% | 97.14% |
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 simplex |
| PubChem | 85305513 |
| LOTUS | LTS0224132 |
| wikiData | Q104666940 |