(1R,6R,9R,10R,11R,12S)-6-[(1R)-1-hydroxypropyl]-12-methyl-14,15-dioxa-5-azatetracyclo[7.5.1.01,11.05,10]pentadecan-13-one
| Internal ID | 18f9bc7f-2b36-4f85-9b0a-3ad161cc738c |
| Taxonomy | Organoheterocyclic compounds > Furofurans |
| IUPAC Name | (1R,6R,9R,10R,11R,12S)-6-[(1R)-1-hydroxypropyl]-12-methyl-14,15-dioxa-5-azatetracyclo[7.5.1.01,11.05,10]pentadecan-13-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H25NO4/c1-3-11(18)10-5-6-12-14-13-9(2)15(19)21-16(13,20-12)7-4-8-17(10)14/h9-14,18H,3-8H2,1-2H3/t9-,10+,11+,12+,13+,14-,16+/m0/s1 |
| InChI Key | PJKJIJIZWMVHLU-LIRPYQAWSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C16H25NO4 |
| Molecular Weight | 295.37 g/mol |
| Exact Mass | 295.17835828 g/mol |
| Topological Polar Surface Area (TPSA) | 59.00 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of (1R,6R,9R,10R,11R,12S)-6-[(1R)-1-hydroxypropyl]-12-methyl-14,15-dioxa-5-azatetracyclo[7.5.1.01,11.05,10]pentadecan-13-one](https://plantaedb.com/storage/docs/compounds/2023/11/796aa780-8445-11ee-bc42-fb3b514ec734.jpg "2D Structure of (1R,6R,9R,10R,11R,12S)-6-[(1R)-1-hydroxypropyl]-12-methyl-14,15-dioxa-5-azatetracyclo[7.5.1.01,11.05,10]pentadecan-13-one")
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.59% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.38% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.73% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.67% | 97.25% |
| CHEMBL204 | P00734 | Thrombin | 94.44% | 96.01% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 90.64% | 96.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.69% | 97.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.38% | 96.61% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.09% | 91.11% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 86.08% | 99.29% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 85.50% | 90.24% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.49% | 90.08% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.21% | 95.56% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.88% | 95.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.72% | 90.71% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.19% | 93.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.65% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.63% | 89.00% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 82.50% | 98.33% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.44% | 93.04% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 81.98% | 94.66% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.23% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.18% | 95.89% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.11% | 97.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.01% | 94.45% |
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.
| Stemona kerrii |
| PubChem | 23626175 |
| LOTUS | LTS0091154 |
| wikiData | Q105210018 |