[(3S)-5-[(1R,2R,5R,7R,10R,11R)-10-hydroxy-2,5,10-trimethyl-6-oxatricyclo[9.1.0.05,7]dodecan-2-yl]-2-methylpent-1-en-3-yl] acetate
| Internal ID | bcc0088f-d952-4e6f-89a1-f9d9c118acdc |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Tertiary alcohols |
| IUPAC Name | [(3S)-5-[(1R,2R,5R,7R,10R,11R)-10-hydroxy-2,5,10-trimethyl-6-oxatricyclo[9.1.0.05,7]dodecan-2-yl]-2-methylpent-1-en-3-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H36O4/c1-14(2)18(25-15(3)23)7-9-20(4)11-12-22(6)19(26-22)8-10-21(5,24)17-13-16(17)20/h16-19,24H,1,7-13H2,2-6H3/t16-,17-,18+,19-,20-,21-,22-/m1/s1 |
| InChI Key | ZCTJZPAETZSAKN-CYDYRLPTSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H36O4 |
| Molecular Weight | 364.50 g/mol |
| Exact Mass | 364.26135963 g/mol |
| Topological Polar Surface Area (TPSA) | 59.10 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of [(3S)-5-[(1R,2R,5R,7R,10R,11R)-10-hydroxy-2,5,10-trimethyl-6-oxatricyclo[9.1.0.05,7]dodecan-2-yl]-2-methylpent-1-en-3-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/76628ed0-855b-11ee-a482-1932b3088945.jpg "2D Structure of [(3S)-5-[(1R,2R,5R,7R,10R,11R)-10-hydroxy-2,5,10-trimethyl-6-oxatricyclo[9.1.0.05,7]dodecan-2-yl]-2-methylpent-1-en-3-yl] acetate")
| 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 | 98.11% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.66% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.36% | 94.45% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 93.92% | 82.69% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 92.07% | 96.61% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.19% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.84% | 85.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.38% | 91.19% |
| CHEMBL233 | P35372 | Mu opioid receptor | 88.63% | 97.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.34% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.93% | 98.95% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.74% | 89.50% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 83.94% | 98.33% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.79% | 95.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.95% | 95.89% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 82.07% | 97.28% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.54% | 96.77% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 81.40% | 95.36% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.36% | 96.95% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.28% | 97.14% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 80.95% | 89.05% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.84% | 92.62% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.18% | 95.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.18% | 100.00% |
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.
| Camellia elongata |
| PubChem | 163089373 |
| LOTUS | LTS0084439 |
| wikiData | Q105371514 |