(6R,7S,10S,15R,18S,19R,22S)-6,18-dimethyl-5-oxa-16-azahexacyclo[14.5.1.01,6.07,15.010,14.019,22]docos-13-en-4-one
| Internal ID | 20532b8a-b865-4181-a542-dcac52dfb709 |
| Taxonomy | Organoheterocyclic compounds > Quinolidines |
| IUPAC Name | (6R,7S,10S,15R,18S,19R,22S)-6,18-dimethyl-5-oxa-16-azahexacyclo[14.5.1.01,6.07,15.010,14.019,22]docos-13-en-4-one |
| SMILES (Canonical) | CC1CN2C3C(CCC4C3=CCC4)C5(C6(C2C1CC6)CCC(=O)O5)C |
| SMILES (Isomeric) | C[C@@H]1CN2[C@@H]3[C@H](CC[C@H]4C3=CCC4)[C@@]5(C6([C@@H]2[C@@H]1CC6)CCC(=O)O5)C |
| InChI | InChI=1S/C22H31NO2/c1-13-12-23-19-16-5-3-4-14(16)6-7-17(19)21(2)22(11-9-18(24)25-21)10-8-15(13)20(22)23/h5,13-15,17,19-20H,3-4,6-12H2,1-2H3/t13-,14+,15-,17+,19+,20+,21-,22?/m1/s1 |
| InChI Key | NGQSEZXJVMCXSC-LIOGWRAUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H31NO2 |
| Molecular Weight | 341.50 g/mol |
| Exact Mass | 341.235479232 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of (6R,7S,10S,15R,18S,19R,22S)-6,18-dimethyl-5-oxa-16-azahexacyclo[14.5.1.01,6.07,15.010,14.019,22]docos-13-en-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/da50a9a0-8546-11ee-9719-af43507bae06.jpg "2D Structure of (6R,7S,10S,15R,18S,19R,22S)-6,18-dimethyl-5-oxa-16-azahexacyclo[14.5.1.01,6.07,15.010,14.019,22]docos-13-en-4-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 | 96.82% | 97.25% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 96.41% | 93.40% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.11% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.92% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.03% | 98.95% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.17% | 96.38% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.09% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.97% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.96% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.21% | 82.69% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 86.13% | 94.80% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 84.64% | 94.78% |
| CHEMBL1871 | P10275 | Androgen Receptor | 84.41% | 96.43% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 83.72% | 94.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.44% | 97.14% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 83.28% | 86.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.55% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.96% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.40% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.30% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.25% | 90.00% |
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.
| Daphniphyllum pentandrum |
| Daphniphyllum subverticillatum |
| PubChem | 163185445 |
| LOTUS | LTS0141698 |
| wikiData | Q105179105 |