Kissoone C
| Internal ID | 38da2f08-096f-4a6b-900a-b7ed2feb9d50 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Carboxylic acid derivatives > Carboxylic acid esters |
| IUPAC Name | [(1R,4E,9Z,11S)-12,12-dimethyl-8-oxo-4-bicyclo[9.1.0]dodeca-4,9-dienyl]methyl acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H24O3/c1-12(18)20-11-13-5-4-6-14(19)8-10-16-15(9-7-13)17(16,2)3/h5,8,10,15-16H,4,6-7,9,11H2,1-3H3/b10-8-,13-5+/t15-,16+/m1/s1 |
| InChI Key | MQNYOYOQPDJLJV-PEXFBTPGSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C17H24O3 |
| Molecular Weight | 276.40 g/mol |
| Exact Mass | 276.17254462 g/mol |
| Topological Polar Surface Area (TPSA) | 43.40 Ų |
| XlogP | 2.70 |
| HY-N12170 |
| CS-0892763 |
| 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 | 98.59% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.18% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.82% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.40% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.67% | 90.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.00% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.92% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.84% | 95.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.81% | 91.19% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.68% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.26% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.75% | 86.33% |
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.
| Valeriana officinalis |
| PubChem | 11859077 |
| LOTUS | LTS0206694 |
| wikiData | Q105170136 |