(1S,4R,10R)-4,12,12-trimethyl-5-oxatricyclo[8.2.0.04,6]dodecan-9-one
| Internal ID | 895bd67f-d730-472b-8c88-316104655723 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Ketones |
| IUPAC Name | (1S,4R,10R)-4,12,12-trimethyl-5-oxatricyclo[8.2.0.04,6]dodecan-9-one |
| SMILES (Canonical) | CC1(CC2C1CCC3(C(O3)CCC2=O)C)C |
| SMILES (Isomeric) | C[C@@]12CC[C@H]3[C@@H](CC3(C)C)C(=O)CCC1O2 |
| InChI | InChI=1S/C14H22O2/c1-13(2)8-9-10(13)6-7-14(3)12(16-14)5-4-11(9)15/h9-10,12H,4-8H2,1-3H3/t9-,10+,12?,14-/m1/s1 |
| InChI Key | UETZJEZFLKASPR-RDCSUEHQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H22O2 |
| Molecular Weight | 222.32 g/mol |
| Exact Mass | 222.161979940 g/mol |
| Topological Polar Surface Area (TPSA) | 29.60 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of (1S,4R,10R)-4,12,12-trimethyl-5-oxatricyclo[8.2.0.04,6]dodecan-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/1s4r10r-41212-trimethyl-5-oxatricyclo820046dodecan-9-one.jpg "2D Structure of (1S,4R,10R)-4,12,12-trimethyl-5-oxatricyclo[8.2.0.04,6]dodecan-9-one")
| 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 | 94.68% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.68% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.59% | 96.77% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 90.67% | 93.40% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.78% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.72% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.90% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.49% | 95.56% |
| CHEMBL1871 | P10275 | Androgen Receptor | 87.41% | 96.43% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.64% | 91.11% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 85.13% | 95.38% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.55% | 97.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.48% | 98.95% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.42% | 93.04% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.80% | 95.89% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 82.62% | 94.78% |
| CHEMBL5600 | P27448 | Serine/threonine-protein kinase c-TAK1 | 82.56% | 88.81% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.96% | 94.45% |
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.
| Aristolochia pubescens |
| Scutellaria scandens |
| Sindora sumatrana |
| PubChem | 129317138 |
| LOTUS | LTS0078516 |
| wikiData | Q104402611 |