10-[[(1S,3S,4R,6R,8S)-3-(hydroxymethyl)-6-methyl-12-azatricyclo[6.3.1.04,12]dodecan-1-yl]methyl]-11-methyl-12-azatricyclo[6.3.1.04,12]dodeca-1,3,10-trien-5-one
| Internal ID | 351a98b0-98e4-46c4-a182-8f7cd74ff419 |
| Taxonomy | Organoheterocyclic compounds > Quinolizidines |
| IUPAC Name | 10-[[(1S,3S,4R,6R,8S)-3-(hydroxymethyl)-6-methyl-12-azatricyclo[6.3.1.04,12]dodecan-1-yl]methyl]-11-methyl-12-azatricyclo[6.3.1.04,12]dodeca-1,3,10-trien-5-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H36N2O2/c1-16-10-21-4-3-9-26(14-19(15-29)24(11-16)28(21)26)13-18-12-20-5-8-25(30)23-7-6-22(17(18)2)27(20)23/h6-7,16,19-21,24,29H,3-5,8-15H2,1-2H3/t16-,19-,20?,21+,24-,26-/m1/s1 |
| InChI Key | ZWUTTYKUKCHEPH-HCBIFLLESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H36N2O2 |
| Molecular Weight | 408.60 g/mol |
| Exact Mass | 408.277678395 g/mol |
| Topological Polar Surface Area (TPSA) | 45.50 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of 10-[[(1S,3S,4R,6R,8S)-3-(hydroxymethyl)-6-methyl-12-azatricyclo[6.3.1.04,12]dodecan-1-yl]methyl]-11-methyl-12-azatricyclo[6.3.1.04,12]dodeca-1,3,10-trien-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/07e79610-8719-11ee-a976-c568303682f5.jpg "2D Structure of 10-[[(1S,3S,4R,6R,8S)-3-(hydroxymethyl)-6-methyl-12-azatricyclo[6.3.1.04,12]dodecan-1-yl]methyl]-11-methyl-12-azatricyclo[6.3.1.04,12]dodeca-1,3,10-trien-5-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.98% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.44% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.33% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.24% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.75% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.43% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.67% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.87% | 86.33% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 84.59% | 89.63% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.03% | 100.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.33% | 100.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 81.40% | 83.82% |
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 | 101945828 |
| LOTUS | LTS0121679 |
| wikiData | Q105385244 |