21-Hydroxy-5-methyl-15-methylidene-7-oxa-10-azaheptacyclo[12.6.2.01,11.05,20.06,10.012,17.017,21]docosane-19,22-dione
| Internal ID | 36031c93-7755-49ab-a1fd-ee9b7f1b0a64 |
| 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]docosane-19,22-dione |
| SMILES (Canonical) | CC12CCCC34C1C(=O)CC56C3(C(=O)C(CC5C4N7C2OCC7)C(=C)C6)O |
| SMILES (Isomeric) | CC12CCCC34C1C(=O)CC56C3(C(=O)C(CC5C4N7C2OCC7)C(=C)C6)O |
| InChI | InChI=1S/C22H27NO4/c1-11-9-20-10-14(24)15-19(2)4-3-5-21(15)16(23-6-7-27-18(19)23)13(20)8-12(11)17(25)22(20,21)26/h12-13,15-16,18,26H,1,3-10H2,2H3 |
| InChI Key | QZDAJKZVNUERPG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H27NO4 |
| Molecular Weight | 369.50 g/mol |
| Exact Mass | 369.19400834 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 0.90 |
| 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]docosane-19,22-dione](https://plantaedb.com/storage/docs/compounds/2023/11/e2dc71a0-86db-11ee-ac01-ffcabd448482.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]docosane-19,22-dione")
| 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 | 95.78% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.65% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.83% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.73% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.32% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.63% | 95.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.63% | 82.69% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.49% | 92.94% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.33% | 96.77% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.15% | 97.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.85% | 83.82% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.11% | 86.33% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.94% | 96.43% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.71% | 91.19% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.33% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.30% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.25% | 90.17% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.69% | 97.14% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.40% | 90.71% |
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 | 14191515 |
| LOTUS | LTS0054654 |
| wikiData | Q105231849 |