(1R,2S,5R,6S,9S,10R)-5,10-dimethyl-3-oxatetracyclo[7.4.0.01,10.02,6]tridec-12-ene-4,11-dione
| Internal ID | ebb8bd8c-60b7-465e-a13c-20c55c6673b9 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | (1R,2S,5R,6S,9S,10R)-5,10-dimethyl-3-oxatetracyclo[7.4.0.01,10.02,6]tridec-12-ene-4,11-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C14H16O3/c1-7-8-3-4-9-13(2)10(15)5-6-14(9,13)11(8)17-12(7)16/h5-9,11H,3-4H2,1-2H3/t7-,8+,9-,11+,13+,14+/m1/s1 |
| InChI Key | KKEMJECGJYQXLI-KKERGYOBSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C14H16O3 |
| Molecular Weight | 232.27 g/mol |
| Exact Mass | 232.109944368 g/mol |
| Topological Polar Surface Area (TPSA) | 43.40 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of (1R,2S,5R,6S,9S,10R)-5,10-dimethyl-3-oxatetracyclo[7.4.0.01,10.02,6]tridec-12-ene-4,11-dione](https://plantaedb.com/storage/docs/compounds/2023/11/1r2s5r6s9s10r-510-dimethyl-3-oxatetracyclo7400110026tridec-12-ene-411-dione.jpg "2D Structure of (1R,2S,5R,6S,9S,10R)-5,10-dimethyl-3-oxatetracyclo[7.4.0.01,10.02,6]tridec-12-ene-4,11-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 | 93.77% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.19% | 91.11% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 90.27% | 94.80% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.94% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.07% | 91.49% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.12% | 94.75% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.25% | 96.77% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.24% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.18% | 100.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.64% | 93.04% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.37% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.59% | 94.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.50% | 97.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.11% | 95.89% |
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.
| There are no matching plants. |
| PubChem | 162916739 |
| LOTUS | LTS0238953 |
| wikiData | Q105142164 |