(1R,4S,7S,10R)-1,7-dimethyl-4-propan-2-yl-11-oxabicyclo[8.1.0]undecane-3,6-dione
| Internal ID | 4bb73663-e14b-4a64-a204-2f71cd158a6c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (1R,4S,7S,10R)-1,7-dimethyl-4-propan-2-yl-11-oxabicyclo[8.1.0]undecane-3,6-dione |
| SMILES (Canonical) | CC1CCC2C(O2)(CC(=O)C(CC1=O)C(C)C)C |
| SMILES (Isomeric) | C[C@H]1CC[C@@H]2[C@](O2)(CC(=O)[C@@H](CC1=O)C(C)C)C |
| InChI | InChI=1S/C15H24O3/c1-9(2)11-7-12(16)10(3)5-6-14-15(4,18-14)8-13(11)17/h9-11,14H,5-8H2,1-4H3/t10-,11-,14+,15+/m0/s1 |
| InChI Key | QYYOHVOJFGDMRL-UOVKNHIHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H24O3 |
| Molecular Weight | 252.35 g/mol |
| Exact Mass | 252.17254462 g/mol |
| Topological Polar Surface Area (TPSA) | 46.70 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of (1R,4S,7S,10R)-1,7-dimethyl-4-propan-2-yl-11-oxabicyclo[8.1.0]undecane-3,6-dione](https://plantaedb.com/storage/docs/compounds/2023/11/1r4s7s10r-17-dimethyl-4-propan-2-yl-11-oxabicyclo810undecane-36-dione.jpg "2D Structure of (1R,4S,7S,10R)-1,7-dimethyl-4-propan-2-yl-11-oxabicyclo[8.1.0]undecane-3,6-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 | 95.70% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.35% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.92% | 96.09% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 87.68% | 86.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.60% | 97.14% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 87.58% | 93.04% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.49% | 95.89% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 86.34% | 98.46% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.90% | 95.56% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 85.45% | 95.34% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 84.82% | 91.03% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.90% | 96.77% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.66% | 85.14% |
| CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 82.12% | 99.17% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 82.10% | 94.78% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.40% | 93.40% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.33% | 90.08% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 80.59% | 96.61% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.39% | 97.09% |
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.
| Curcuma aromatica |
| PubChem | 101601372 |
| LOTUS | LTS0103212 |
| wikiData | Q105231296 |