(1R,12R)-15,16-dimethoxy-20-methyl-6,8-dioxa-20-azapentacyclo[10.7.1.02,10.05,9.013,18]icosa-2,4,9,13,15,17-hexaen-4-ol
| Internal ID | 1473bd56-eed7-4171-95f5-90dc2a8f3b7f |
| Taxonomy | Alkaloids and derivatives > Pavine alkaloids |
| IUPAC Name | (1R,12R)-15,16-dimethoxy-20-methyl-6,8-dioxa-20-azapentacyclo[10.7.1.02,10.05,9.013,18]icosa-2,4,9,13,15,17-hexaen-4-ol |
| SMILES (Canonical) | CN1C2CC3=CC(=C(C=C3C1CC4=C5C(=C(C=C24)O)OCO5)OC)OC |
| SMILES (Isomeric) | CN1[C@@H]2CC3=CC(=C(C=C3[C@H]1CC4=C5C(=C(C=C24)O)OCO5)OC)OC |
| InChI | InChI=1S/C20H21NO5/c1-21-14-4-10-5-17(23-2)18(24-3)8-11(10)15(21)6-13-12(14)7-16(22)20-19(13)25-9-26-20/h5,7-8,14-15,22H,4,6,9H2,1-3H3/t14-,15-/m1/s1 |
| InChI Key | ONEMAZREBSCOFF-HUUCEWRRSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H21NO5 |
| Molecular Weight | 355.40 g/mol |
| Exact Mass | 355.14197277 g/mol |
| Topological Polar Surface Area (TPSA) | 60.40 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of (1R,12R)-15,16-dimethoxy-20-methyl-6,8-dioxa-20-azapentacyclo[10.7.1.02,10.05,9.013,18]icosa-2,4,9,13,15,17-hexaen-4-ol](https://plantaedb.com/storage/docs/compounds/2023/11/1b9e1b90-83c9-11ee-a7c2-1741111a91c2.jpg "2D Structure of (1R,12R)-15,16-dimethoxy-20-methyl-6,8-dioxa-20-azapentacyclo[10.7.1.02,10.05,9.013,18]icosa-2,4,9,13,15,17-hexaen-4-ol")
| 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 | 98.72% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.05% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.72% | 98.95% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 93.67% | 89.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.83% | 85.14% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 90.92% | 93.40% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.23% | 86.33% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.98% | 93.99% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.26% | 95.56% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 87.67% | 88.48% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.46% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.33% | 94.45% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 86.82% | 91.79% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.53% | 92.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.96% | 98.75% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 83.64% | 95.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.59% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.45% | 89.00% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 83.28% | 82.67% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 82.74% | 91.00% |
| CHEMBL5896 | O75164 | Lysine-specific demethylase 4A | 82.74% | 99.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.23% | 96.77% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.70% | 90.71% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.49% | 92.94% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.18% | 89.50% |
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 | 163105392 |
| LOTUS | LTS0129791 |
| wikiData | Q105194629 |