[5-(2-hydroxy-4,5,7a,7b-tetramethyl-2,3,3a,5,6,7-hexahydro-1aH-naphtho[1,2-b]oxiren-4-yl)-3-(hydroxymethyl)pent-2-enyl] acetate
| Internal ID | 402a692a-7d37-4755-98a9-531fca44b300 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols |
| IUPAC Name | [5-(2-hydroxy-4,5,7a,7b-tetramethyl-2,3,3a,5,6,7-hexahydro-1aH-naphtho[1,2-b]oxiren-4-yl)-3-(hydroxymethyl)pent-2-enyl] acetate |
| SMILES (Canonical) | CC1CCC2(C(C1(C)CCC(=CCOC(=O)C)CO)CC(C3C2(O3)C)O)C |
| SMILES (Isomeric) | CC1CCC2(C(C1(C)CCC(=CCOC(=O)C)CO)CC(C3C2(O3)C)O)C |
| InChI | InChI=1S/C22H36O5/c1-14-6-10-21(4)18(12-17(25)19-22(21,5)27-19)20(14,3)9-7-16(13-23)8-11-26-15(2)24/h8,14,17-19,23,25H,6-7,9-13H2,1-5H3 |
| InChI Key | KSFPKPWLSKMJRE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H36O5 |
| Molecular Weight | 380.50 g/mol |
| Exact Mass | 380.25627424 g/mol |
| Topological Polar Surface Area (TPSA) | 79.30 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of [5-(2-hydroxy-4,5,7a,7b-tetramethyl-2,3,3a,5,6,7-hexahydro-1aH-naphtho[1,2-b]oxiren-4-yl)-3-(hydroxymethyl)pent-2-enyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/60f50980-8359-11ee-9b99-f3ebe358b579.jpg "2D Structure of [5-(2-hydroxy-4,5,7a,7b-tetramethyl-2,3,3a,5,6,7-hexahydro-1aH-naphtho[1,2-b]oxiren-4-yl)-3-(hydroxymethyl)pent-2-enyl] acetate")
| 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 | 97.58% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.47% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.34% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.31% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.10% | 97.09% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 89.78% | 95.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.14% | 91.19% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.96% | 100.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.54% | 91.07% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 82.03% | 89.05% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.66% | 82.69% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.21% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.30% | 86.33% |
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.
| Goyazianthus tetrastichus |
| PubChem | 163096078 |
| LOTUS | LTS0056936 |
| wikiData | Q105145395 |