[2-Formyl-6-methyl-8-(6-methylhept-5-en-2-yl)cyclonona-2,5-dien-1-yl]methyl acetate
| Internal ID | d109f7a0-4088-4ffb-bdf2-0f397d4a6ec3 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Carboxylic acid derivatives > Carboxylic acid esters |
| IUPAC Name | [2-formyl-6-methyl-8-(6-methylhept-5-en-2-yl)cyclonona-2,5-dien-1-yl]methyl acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H34O3/c1-16(2)8-6-10-18(4)21-12-17(3)9-7-11-20(14-23)22(13-21)15-25-19(5)24/h8-9,11,14,18,21-22H,6-7,10,12-13,15H2,1-5H3 |
| InChI Key | FELJXVYIMMZQBA-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H34O3 |
| Molecular Weight | 346.50 g/mol |
| Exact Mass | 346.25079494 g/mol |
| Topological Polar Surface Area (TPSA) | 43.40 Ų |
| XlogP | 5.20 |
| There are no found synonyms. |
![2D Structure of [2-Formyl-6-methyl-8-(6-methylhept-5-en-2-yl)cyclonona-2,5-dien-1-yl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/2-formyl-6-methyl-8-6-methylhept-5-en-2-ylcyclonona-25-dien-1-ylmethyl-acetate.jpg "2D Structure of [2-Formyl-6-methyl-8-(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 | 96.72% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.97% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.77% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.79% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.90% | 94.73% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.13% | 93.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.45% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.23% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.07% | 99.17% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.56% | 95.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.18% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.25% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.16% | 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.
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| There are no matching plants. |
| PubChem | 163020766 |
| LOTUS | LTS0111122 |
| wikiData | Q104994024 |