(1aR,2aS,5S,5aR,7aS)-2a,7a-dimethyl-5-[(2E)-6-methylhepta-2,5-dien-2-yl]-1a,2,3,4,5,5a,6,7-octahydroazuleno[5,6-b]oxirene
| Internal ID | f9261882-32e0-454a-86e0-ea7edbba5b39 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Sphenolobane diterpenoids |
| IUPAC Name | (1aR,2aS,5S,5aR,7aS)-2a,7a-dimethyl-5-[(2E)-6-methylhepta-2,5-dien-2-yl]-1a,2,3,4,5,5a,6,7-octahydroazuleno[5,6-b]oxirene |
| SMILES (Canonical) | CC(=CCC=C(C)C1CCC2(C1CCC3(C(C2)O3)C)C)C |
| SMILES (Isomeric) | CC(=CC/C=C(\C)/[C@H]1CC[C@@]2([C@@H]1CC[C@]3([C@@H](C2)O3)C)C)C |
| InChI | InChI=1S/C20H32O/c1-14(2)7-6-8-15(3)16-9-11-19(4)13-18-20(5,21-18)12-10-17(16)19/h7-8,16-18H,6,9-13H2,1-5H3/b15-8+/t16-,17-,18-,19+,20+/m1/s1 |
| InChI Key | ASQCCLQPLZWFHT-QKVFJQBQSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H32O |
| Molecular Weight | 288.50 g/mol |
| Exact Mass | 288.245315640 g/mol |
| Topological Polar Surface Area (TPSA) | 12.50 Ų |
| XlogP | 6.10 |
| There are no found synonyms. |
![2D Structure of (1aR,2aS,5S,5aR,7aS)-2a,7a-dimethyl-5-[(2E)-6-methylhepta-2,5-dien-2-yl]-1a,2,3,4,5,5a,6,7-octahydroazuleno[5,6-b]oxirene](https://plantaedb.com/storage/docs/compounds/2023/11/45ee02a0-83db-11ee-9b51-f1190f154c94.jpg "2D Structure of (1aR,2aS,5S,5aR,7aS)-2a,7a-dimethyl-5-[(2E)-6-methylhepta-2,5-dien-2-yl]-1a,2,3,4,5,5a,6,7-octahydroazuleno[5,6-b]oxirene")
| 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.59% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.52% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.83% | 100.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 89.95% | 96.61% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.19% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.58% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.31% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.52% | 92.94% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.67% | 94.45% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 85.85% | 95.38% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.43% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.11% | 95.89% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.94% | 95.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.61% | 92.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.45% | 85.14% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.02% | 97.50% |
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.
| Anastrophyllum donnianum |
| PubChem | 162973865 |
| LOTUS | LTS0080677 |
| wikiData | Q104917999 |