(1S,4S,13R,14R)-13-methoxy-5-methyl-12-oxa-5-azapentacyclo[11.3.1.11,4.02,11.03,8]octadeca-2,8,10-triene-10,14-diol
| Internal ID | 8159f8ca-772a-42e5-9e89-599698585804 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Chromenopyridines |
| IUPAC Name | (1S,4S,13R,14R)-13-methoxy-5-methyl-12-oxa-5-azapentacyclo[11.3.1.11,4.02,11.03,8]octadeca-2,8,10-triene-10,14-diol |
| SMILES (Canonical) | CN1CCC2=CC(=C3C4=C2C1CC45CCC(C(C5)(O3)OC)O)O |
| SMILES (Isomeric) | CN1CCC2=CC(=C3C4=C2[C@@H]1C[C@]45CC[C@H]([C@@](C5)(O3)OC)O)O |
| InChI | InChI=1S/C18H23NO4/c1-19-6-4-10-7-12(20)16-15-14(10)11(19)8-17(15)5-3-13(21)18(9-17,22-2)23-16/h7,11,13,20-21H,3-6,8-9H2,1-2H3/t11-,13+,17-,18+/m0/s1 |
| InChI Key | QBOCZBFZMRLKDH-BIWMPGTGSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H23NO4 |
| Molecular Weight | 317.40 g/mol |
| Exact Mass | 317.16270821 g/mol |
| Topological Polar Surface Area (TPSA) | 62.20 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of (1S,4S,13R,14R)-13-methoxy-5-methyl-12-oxa-5-azapentacyclo[11.3.1.11,4.02,11.03,8]octadeca-2,8,10-triene-10,14-diol](https://plantaedb.com/storage/docs/compounds/2023/11/5fd6b990-8581-11ee-a9d5-796768ea8b2e.jpg "2D Structure of (1S,4S,13R,14R)-13-methoxy-5-methyl-12-oxa-5-azapentacyclo[11.3.1.11,4.02,11.03,8]octadeca-2,8,10-triene-10,14-diol")
| 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 | 98.93% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.71% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.55% | 91.11% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.97% | 93.40% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 92.91% | 91.03% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.27% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.52% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.57% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.70% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.57% | 97.09% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 87.16% | 99.18% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.60% | 89.00% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 86.13% | 91.00% |
| CHEMBL233 | P35372 | Mu opioid receptor | 85.86% | 97.93% |
| CHEMBL2730 | P21980 | Protein-glutamine gamma-glutamyltransferase | 85.63% | 92.38% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 84.09% | 91.79% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.03% | 100.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 82.50% | 95.62% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.13% | 95.89% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 81.98% | 90.24% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.93% | 85.14% |
| CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 81.16% | 92.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.96% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.38% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.35% | 92.62% |
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.
| Fragaria × ananassa |
| PubChem | 162907795 |
| LOTUS | LTS0045523 |
| wikiData | Q105215939 |