(1R,2R,6R,7S,8R,12R)-6-hydroxy-11-[4-(2-hydroxyethyl)phenyl]-3-oxa-11-azatetracyclo[5.5.2.02,6.08,12]tetradecan-13-one
| Internal ID | 2cd92444-5feb-4624-8b19-8832d1dba3d7 |
| Taxonomy | Organoheterocyclic compounds > Pyrrolidines > Phenylpyrrolidines |
| IUPAC Name | (1R,2R,6R,7S,8R,12R)-6-hydroxy-11-[4-(2-hydroxyethyl)phenyl]-3-oxa-11-azatetracyclo[5.5.2.02,6.08,12]tetradecan-13-one |
| SMILES (Canonical) | C1CN(C2C1C3CC(=O)C2C4C3(CCO4)O)C5=CC=C(C=C5)CCO |
| SMILES (Isomeric) | C1CN([C@@H]2[C@H]1[C@@H]3CC(=O)[C@H]2[C@@H]4[C@]3(CCO4)O)C5=CC=C(C=C5)CCO |
| InChI | InChI=1S/C20H25NO4/c22-9-6-12-1-3-13(4-2-12)21-8-5-14-15-11-16(23)17(18(14)21)19-20(15,24)7-10-25-19/h1-4,14-15,17-19,22,24H,5-11H2/t14-,15+,17-,18-,19-,20-/m1/s1 |
| InChI Key | MYHKJABAUFWFKY-WFDVMHAPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H25NO4 |
| Molecular Weight | 343.40 g/mol |
| Exact Mass | 343.17835828 g/mol |
| Topological Polar Surface Area (TPSA) | 70.00 Ų |
| XlogP | 0.80 |
| There are no found synonyms. |
![2D Structure of (1R,2R,6R,7S,8R,12R)-6-hydroxy-11-[4-(2-hydroxyethyl)phenyl]-3-oxa-11-azatetracyclo[5.5.2.02,6.08,12]tetradecan-13-one](https://plantaedb.com/storage/docs/compounds/2023/11/33dc00b0-8548-11ee-9d39-e1039135a088.jpg "2D Structure of (1R,2R,6R,7S,8R,12R)-6-hydroxy-11-[4-(2-hydroxyethyl)phenyl]-3-oxa-11-azatetracyclo[5.5.2.02,6.08,12]tetradecan-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.76% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.66% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.32% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.24% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.98% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.16% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.05% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.71% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.51% | 97.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.09% | 83.82% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 84.62% | 94.66% |
| CHEMBL240 | Q12809 | HERG | 84.39% | 89.76% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 84.13% | 96.25% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 83.41% | 97.50% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.55% | 94.00% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 82.23% | 95.34% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.95% | 93.40% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 80.62% | 85.11% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 80.38% | 98.46% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.21% | 100.00% |
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.
| Incarvillea mairei |
| PubChem | 162954227 |
| LOTUS | LTS0020898 |
| wikiData | Q105174898 |