[(1S,2E,5E,8R,9R)-2-formyl-8-hydroxy-6-methyl-9-[(2R)-6-methylhept-5-en-2-yl]cyclonona-2,5-dien-1-yl]methyl acetate
| Internal ID | ae9b5b24-13b2-4c4d-851a-422b368d332e |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Carboxylic acid derivatives > Carboxylic acid esters |
| IUPAC Name | [(1S,2E,5E,8R,9R)-2-formyl-8-hydroxy-6-methyl-9-[(2R)-6-methylhept-5-en-2-yl]cyclonona-2,5-dien-1-yl]methyl acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H34O4/c1-15(2)8-6-10-17(4)22-20(14-26-18(5)24)19(13-23)11-7-9-16(3)12-21(22)25/h8-9,11,13,17,20-22,25H,6-7,10,12,14H2,1-5H3/b16-9+,19-11-/t17-,20-,21-,22-/m1/s1 |
| InChI Key | SYFAUKOFHTVEDD-FUKRUUFSSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C22H34O4 |
| Molecular Weight | 362.50 g/mol |
| Exact Mass | 362.24570956 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 4.20 |
| There are no found synonyms. |
![2D Structure of [(1S,2E,5E,8R,9R)-2-formyl-8-hydroxy-6-methyl-9-[(2R)-6-methylhept-5-en-2-yl]cyclonona-2,5-dien-1-yl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/b1701990-8725-11ee-a686-a9caddc7e381.jpg "2D Structure of [(1S,2E,5E,8R,9R)-2-formyl-8-hydroxy-6-methyl-9-[(2R)-6-methylhept-5-en-2-yl]cyclonona-2,5-dien-1-yl]methyl 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.22% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.67% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.86% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.82% | 94.73% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.57% | 93.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.18% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.47% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.76% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.02% | 95.89% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.13% | 91.24% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.10% | 95.50% |
| CHEMBL5028 | O14672 | ADAM10 | 80.41% | 97.50% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.39% | 96.90% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.15% | 91.19% |
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 | 163089848 |
| LOTUS | LTS0127036 |
| wikiData | Q105263534 |