(14-Butanoyloxy-4-hydroxy-4,8,11-trimethyl-15-methylidene-9-oxo-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-12-yl) octanoate
| Internal ID | 8b7ae54b-b00e-47df-88a3-2211c3721efa |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tricarboxylic acids and derivatives |
| IUPAC Name | (14-butanoyloxy-4-hydroxy-4,8,11-trimethyl-15-methylidene-9-oxo-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-12-yl) octanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H50O8/c1-7-9-10-11-12-14-26(34)39-24-18-22(37-25(33)13-8-2)19(3)17-23-28-27-21(15-16-31(28,5)36)20(4)30(35)40-32(24,6)29(27)38-23/h20-24,27-29,36H,3,7-18H2,1-2,4-6H3 |
| InChI Key | GJBKUEBHQHHBBC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H50O8 |
| Molecular Weight | 562.70 g/mol |
| Exact Mass | 562.35056855 g/mol |
| Topological Polar Surface Area (TPSA) | 108.00 Ų |
| XlogP | 5.60 |
| There are no found synonyms. |
![2D Structure of (14-Butanoyloxy-4-hydroxy-4,8,11-trimethyl-15-methylidene-9-oxo-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-12-yl) octanoate](https://plantaedb.com/storage/docs/compounds/2023/11/1f5b4c80-8547-11ee-9e19-ef4a5699f15a.jpg "2D Structure of (14-Butanoyloxy-4-hydroxy-4,8,11-trimethyl-15-methylidene-9-oxo-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-12-yl) octanoate")
| 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 | 99.13% | 97.25% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 98.22% | 98.03% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.10% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.84% | 96.09% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 95.64% | 94.45% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 95.62% | 97.79% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.48% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.09% | 98.95% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 92.76% | 92.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.21% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.63% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.26% | 99.23% |
| CHEMBL1871 | P10275 | Androgen Receptor | 89.07% | 96.43% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.84% | 92.94% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 88.38% | 85.94% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 88.27% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.69% | 92.62% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.57% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.21% | 95.56% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 86.78% | 97.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.59% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.44% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.09% | 95.89% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 84.96% | 96.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.06% | 94.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.87% | 97.14% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.82% | 95.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.79% | 100.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.74% | 100.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.26% | 94.80% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.13% | 96.95% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.95% | 90.08% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 80.89% | 91.81% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.51% | 97.05% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 73190622 |
| LOTUS | LTS0041531 |
| wikiData | Q105009322 |