12-Hydroxy-12-(hydroxymethyl)-5,7-dimethyl-7-azahexacyclo[7.6.2.210,13.01,8.05,16.010,15]nonadecan-11-one
| Internal ID | ad0cbad1-d2cc-4a24-9e5f-5447c9e56229 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Villanovane, atisane, trachylobane or helvifulvane diterpenoids > Atisane diterpenoids |
| IUPAC Name | 12-hydroxy-12-(hydroxymethyl)-5,7-dimethyl-7-azahexacyclo[7.6.2.210,13.01,8.05,16.010,15]nonadecan-11-one |
| SMILES (Canonical) | CC12CCCC34C1CC(C3N(C2)C)C56C4CC(CC5)C(C6=O)(CO)O |
| SMILES (Isomeric) | CC12CCCC34C1CC(C3N(C2)C)C56C4CC(CC5)C(C6=O)(CO)O |
| InChI | InChI=1S/C21H31NO3/c1-18-5-3-6-20-14(18)9-13(16(20)22(2)10-18)19-7-4-12(8-15(19)20)21(25,11-23)17(19)24/h12-16,23,25H,3-11H2,1-2H3 |
| InChI Key | JJDLWAKGCPFKMQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H31NO3 |
| Molecular Weight | 345.50 g/mol |
| Exact Mass | 345.23039385 g/mol |
| Topological Polar Surface Area (TPSA) | 60.80 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of 12-Hydroxy-12-(hydroxymethyl)-5,7-dimethyl-7-azahexacyclo[7.6.2.210,13.01,8.05,16.010,15]nonadecan-11-one](https://plantaedb.com/storage/docs/compounds/2023/11/944a5600-8531-11ee-936f-1dae734ece86.jpg "2D Structure of 12-Hydroxy-12-(hydroxymethyl)-5,7-dimethyl-7-azahexacyclo[7.6.2.210,13.01,8.05,16.010,15]nonadecan-11-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 | 99.02% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.55% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.14% | 94.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.09% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.17% | 82.69% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 89.02% | 91.03% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.00% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.52% | 100.00% |
| CHEMBL4072 | P07858 | Cathepsin B | 87.11% | 93.67% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 86.71% | 95.62% |
| CHEMBL228 | P31645 | Serotonin transporter | 85.66% | 95.51% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.36% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.65% | 98.95% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.77% | 91.07% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.31% | 96.43% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.07% | 93.04% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.33% | 86.33% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.06% | 95.50% |
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.
| Delphinium dictyocarpum |
| PubChem | 163104560 |
| LOTUS | LTS0204606 |
| wikiData | Q104394736 |