21-Hydroxy-5-methyl-15-methylidene-7-oxa-10-azaheptacyclo[12.6.2.01,11.05,20.06,10.012,17.017,21]docosan-19-one
| Internal ID | 0329c5d5-5785-42d0-963c-961234c7d18c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Villanovane, atisane, trachylobane or helvifulvane diterpenoids > Atisane diterpenoids |
| IUPAC Name | 21-hydroxy-5-methyl-15-methylidene-7-oxa-10-azaheptacyclo[12.6.2.01,11.05,20.06,10.012,17.017,21]docosan-19-one |
| SMILES (Canonical) | CC12CCCC34C1C(=O)CC56C3(CC(CC5C4N7C2OCC7)C(=C)C6)O |
| SMILES (Isomeric) | CC12CCCC34C1C(=O)CC56C3(CC(CC5C4N7C2OCC7)C(=C)C6)O |
| InChI | InChI=1S/C22H29NO3/c1-12-9-20-11-15(24)16-19(2)4-3-5-21(16)17(23-6-7-26-18(19)23)14(20)8-13(12)10-22(20,21)25/h13-14,16-18,25H,1,3-11H2,2H3 |
| InChI Key | IBFHMUUZNIJLRN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H29NO3 |
| Molecular Weight | 355.50 g/mol |
| Exact Mass | 355.21474379 g/mol |
| Topological Polar Surface Area (TPSA) | 49.80 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of 21-Hydroxy-5-methyl-15-methylidene-7-oxa-10-azaheptacyclo[12.6.2.01,11.05,20.06,10.012,17.017,21]docosan-19-one](https://plantaedb.com/storage/docs/compounds/2023/11/3c988020-855e-11ee-8d7b-c528542cc932.jpg "2D Structure of 21-Hydroxy-5-methyl-15-methylidene-7-oxa-10-azaheptacyclo[12.6.2.01,11.05,20.06,10.012,17.017,21]docosan-19-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 | 96.92% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.39% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.30% | 85.14% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 93.02% | 82.69% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.38% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.34% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.35% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.93% | 86.33% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.53% | 93.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.19% | 90.71% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 83.16% | 90.24% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 82.53% | 91.76% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.31% | 97.09% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.29% | 95.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.28% | 100.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.64% | 93.04% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.47% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.39% | 91.11% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.48% | 92.94% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.37% | 96.43% |
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.
| Spiraea japonica |
| Thalictrum javanicum |
| PubChem | 14191513 |
| LOTUS | LTS0045124 |
| wikiData | Q105036481 |