(1S,4S,13R,14R)-10,13-dimethoxy-5-methyl-12-oxa-5-azapentacyclo[11.3.1.11,4.02,11.03,8]octadeca-2,8,10-trien-14-ol
| Internal ID | 020e3cf4-7593-4d29-ae72-bb9bcff7a39f |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Chromenopyridines |
| IUPAC Name | (1S,4S,13R,14R)-10,13-dimethoxy-5-methyl-12-oxa-5-azapentacyclo[11.3.1.11,4.02,11.03,8]octadeca-2,8,10-trien-14-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H25NO4/c1-20-7-5-11-8-13(22-2)17-16-15(11)12(20)9-18(16)6-4-14(21)19(10-18,23-3)24-17/h8,12,14,21H,4-7,9-10H2,1-3H3/t12-,14+,18-,19+/m0/s1 |
| InChI Key | RQLOGQPJLCEFLE-JUUKFZBDSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H25NO4 |
| Molecular Weight | 331.40 g/mol |
| Exact Mass | 331.17835828 g/mol |
| Topological Polar Surface Area (TPSA) | 51.20 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of (1S,4S,13R,14R)-10,13-dimethoxy-5-methyl-12-oxa-5-azapentacyclo[11.3.1.11,4.02,11.03,8]octadeca-2,8,10-trien-14-ol](https://plantaedb.com/storage/docs/compounds/2023/11/c4606e10-8745-11ee-9f75-53ed98f01707.jpg "2D Structure of (1S,4S,13R,14R)-10,13-dimethoxy-5-methyl-12-oxa-5-azapentacyclo[11.3.1.11,4.02,11.03,8]octadeca-2,8,10-trien-14-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 | 99.37% | 96.09% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 91.92% | 91.03% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.33% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.29% | 85.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.09% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.04% | 95.56% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 89.85% | 99.18% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.50% | 97.14% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.41% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.32% | 91.11% |
| CHEMBL2730 | P21980 | Protein-glutamine gamma-glutamyltransferase | 87.30% | 92.38% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.25% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.13% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.73% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.70% | 92.62% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 85.40% | 82.38% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 85.26% | 91.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.09% | 89.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.81% | 93.40% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.38% | 90.24% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.31% | 94.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.97% | 96.38% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.76% | 95.78% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 81.36% | 97.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.92% | 100.00% |
| CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 80.84% | 92.50% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.53% | 93.99% |
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.
| There are no matching plants. |
| PubChem | 162947761 |
| LOTUS | LTS0198003 |
| wikiData | Q105243394 |