(1S,3R,7R,9S,10R)-1,9-dimethyl-4-methylidene-6,13-dioxatricyclo[8.4.0.03,7]tetradecane-5,12-dione
| Internal ID | a6a4834d-2b3a-43e8-8394-99cb17a6954b |
| Taxonomy | Organoheterocyclic compounds > Lactones > Delta valerolactones |
| IUPAC Name | (1S,3R,7R,9S,10R)-1,9-dimethyl-4-methylidene-6,13-dioxatricyclo[8.4.0.03,7]tetradecane-5,12-dione |
| SMILES (Canonical) | CC1CC2C(CC3(C1CC(=O)OC3)C)C(=C)C(=O)O2 |
| SMILES (Isomeric) | C[C@H]1C[C@@H]2[C@H](C[C@]3([C@@H]1CC(=O)OC3)C)C(=C)C(=O)O2 |
| InChI | InChI=1S/C15H20O4/c1-8-4-12-10(9(2)14(17)19-12)6-15(3)7-18-13(16)5-11(8)15/h8,10-12H,2,4-7H2,1,3H3/t8-,10+,11+,12+,15+/m0/s1 |
| InChI Key | GKYRUDQNQRLJRF-ZFNMXEQFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H20O4 |
| Molecular Weight | 264.32 g/mol |
| Exact Mass | 264.13615911 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of (1S,3R,7R,9S,10R)-1,9-dimethyl-4-methylidene-6,13-dioxatricyclo[8.4.0.03,7]tetradecane-5,12-dione](https://plantaedb.com/storage/docs/compounds/2023/11/1s3r7r9s10r-19-dimethyl-4-methylidene-613-dioxatricyclo840037tetradecane-512-dione.jpg "2D Structure of (1S,3R,7R,9S,10R)-1,9-dimethyl-4-methylidene-6,13-dioxatricyclo[8.4.0.03,7]tetradecane-5,12-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 | 97.70% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.63% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.86% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.66% | 95.56% |
| CHEMBL3920 | Q04759 | Protein kinase C theta | 88.24% | 97.69% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 86.05% | 94.80% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.94% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.56% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.84% | 99.23% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.75% | 97.14% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.48% | 97.79% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.27% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.16% | 100.00% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 81.97% | 96.00% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 81.85% | 97.05% |
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.
| Psilostrophe cooperi |
| PubChem | 162971090 |
| LOTUS | LTS0002419 |
| wikiData | Q105010558 |