Methyl 5-(4,5,7a,7b-tetramethyl-2-oxo-1a,3,3a,5,6,7-hexahydronaphtho[1,2-b]oxiren-4-yl)-3-methylpentanoate
| Internal ID | 114bb725-2691-4197-8f7d-3827f26d8d19 |
| Taxonomy | Organoheterocyclic compounds > Oxepanes |
| IUPAC Name | methyl 5-(4,5,7a,7b-tetramethyl-2-oxo-1a,3,3a,5,6,7-hexahydronaphtho[1,2-b]oxiren-4-yl)-3-methylpentanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H34O4/c1-13(11-17(23)24-6)7-9-19(3)14(2)8-10-20(4)16(19)12-15(22)18-21(20,5)25-18/h13-14,16,18H,7-12H2,1-6H3 |
| InChI Key | DJHQRAWQOJCNAZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H34O4 |
| Molecular Weight | 350.50 g/mol |
| Exact Mass | 350.24570956 g/mol |
| Topological Polar Surface Area (TPSA) | 55.90 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of Methyl 5-(4,5,7a,7b-tetramethyl-2-oxo-1a,3,3a,5,6,7-hexahydronaphtho[1,2-b]oxiren-4-yl)-3-methylpentanoate](https://plantaedb.com/storage/docs/compounds/2023/11/de2128a0-87d2-11ee-aa19-4b10e4ca044e.jpg "2D Structure of Methyl 5-(4,5,7a,7b-tetramethyl-2-oxo-1a,3,3a,5,6,7-hexahydronaphtho[1,2-b]oxiren-4-yl)-3-methylpentanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.88% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.46% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.08% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.96% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.92% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.40% | 85.14% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.74% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.58% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.93% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.74% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.27% | 83.82% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 81.56% | 95.71% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.70% | 91.07% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.67% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.28% | 95.89% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 80.15% | 94.00% |
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.
| Cistus populifolius |
| PubChem | 73826668 |
| LOTUS | LTS0167346 |
| wikiData | Q104982245 |