1-(3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-3-yl)pent-1-en-3-one
| Internal ID | f2ae28d3-2a8c-41f9-aacb-0e0d2b0ce314 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 1-(3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-3-yl)pent-1-en-3-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H38O2/c1-7-17(24)9-14-21(4)15-10-19-22(5)13-8-12-20(2,3)18(22)11-16-23(19,6)25-21/h9,14,18-19H,7-8,10-13,15-16H2,1-6H3 |
| InChI Key | PFXWHOMZUGYXNY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H38O2 |
| Molecular Weight | 346.50 g/mol |
| Exact Mass | 346.287180451 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 5.70 |
| There are no found synonyms. |
![2D Structure of 1-(3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-3-yl)pent-1-en-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/1-34a7710a-pentamethyl-2566a891010b-octahydro-1h-benzofchromen-3-ylpent-1-en-3-one.jpg "2D Structure of 1-(3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-3-yl)pent-1-en-3-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 | 98.45% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.50% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.30% | 96.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 91.35% | 96.61% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.58% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.49% | 90.17% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.43% | 96.38% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 84.90% | 97.50% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.14% | 92.94% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.11% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.69% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.65% | 92.62% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.34% | 82.69% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.28% | 100.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.38% | 92.50% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.25% | 95.50% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 81.35% | 89.63% |
| CHEMBL233 | P35372 | Mu opioid receptor | 80.98% | 97.93% |
| CHEMBL236 | P41143 | Delta opioid receptor | 80.76% | 99.35% |
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.
| Salvia limbata |
| PubChem | 162979101 |
| LOTUS | LTS0078821 |
| wikiData | Q105208227 |