[(1S,2R,4R,7S,8R,11R,12R,13R,14S,15S)-15-acetyloxy-7-chloro-12-hydroxy-1,11,15-trimethyl-6-methylidene-10,16-dioxo-3,9-dioxatetracyclo[12.4.0.02,4.08,12]octadec-17-en-13-yl] 2-acetyloxyacetate
| Internal ID | b531e0e5-496c-4e39-a14e-83bab4007cb0 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tetracarboxylic acids and derivatives |
| IUPAC Name | [(1S,2R,4R,7S,8R,11R,12R,13R,14S,15S)-15-acetyloxy-7-chloro-12-hydroxy-1,11,15-trimethyl-6-methylidene-10,16-dioxo-3,9-dioxatetracyclo[12.4.0.02,4.08,12]octadec-17-en-13-yl] 2-acetyloxyacetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H31ClO11/c1-11-9-15-20(35-15)24(5)8-7-16(30)25(6,38-14(4)29)19(24)22(36-17(31)10-34-13(3)28)26(33)12(2)23(32)37-21(26)18(11)27/h7-8,12,15,18-22,33H,1,9-10H2,2-6H3/t12-,15+,18-,19+,20-,21-,22+,24-,25+,26-/m0/s1 |
| InChI Key | NHPFUXLCCKDQOJ-UQWBOOINSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C26H31ClO11 |
| Molecular Weight | 555.00 g/mol |
| Exact Mass | 554.1554895 g/mol |
| Topological Polar Surface Area (TPSA) | 155.00 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
![2D Structure of [(1S,2R,4R,7S,8R,11R,12R,13R,14S,15S)-15-acetyloxy-7-chloro-12-hydroxy-1,11,15-trimethyl-6-methylidene-10,16-dioxo-3,9-dioxatetracyclo[12.4.0.02,4.08,12]octadec-17-en-13-yl] 2-acetyloxyacetate](https://plantaedb.com/storage/docs/compounds/2023/11/a7611fe0-86f7-11ee-981c-bd471c1c7507.jpg "2D Structure of [(1S,2R,4R,7S,8R,11R,12R,13R,14S,15S)-15-acetyloxy-7-chloro-12-hydroxy-1,11,15-trimethyl-6-methylidene-10,16-dioxo-3,9-dioxatetracyclo[12.4.0.02,4.08,12]octadec-17-en-13-yl] 2-acetyloxyacetate")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.31% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.28% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.09% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.67% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.03% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.08% | 96.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 92.16% | 97.79% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 89.52% | 98.03% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.52% | 91.19% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.57% | 90.00% |
| CHEMBL3045 | P05771 | Protein kinase C beta | 85.16% | 97.63% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.45% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.98% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.90% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.05% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.88% | 89.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 82.53% | 89.34% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.71% | 95.89% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.23% | 91.24% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.59% | 95.71% |
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 | 23427834 |
| LOTUS | LTS0168423 |
| wikiData | Q105179533 |