[(1S,2R,4R,7S,8R,11R,12R,13S,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-hydroxyacetate
| Internal ID | 0a6cd1c7-8b50-49bc-84bb-f36c93da2fcc |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tricarboxylic acids and derivatives |
| IUPAC Name | [(1S,2R,4R,7S,8R,11R,12R,13S,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-hydroxyacetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H29ClO10/c1-10-8-13-18(32-13)22(4)7-6-14(28)23(5,35-12(3)27)17(22)20(33-15(29)9-26)24(31)11(2)21(30)34-19(24)16(10)25/h6-7,11,13,16-20,26,31H,1,8-9H2,2-5H3/t11-,13+,16-,17+,18-,19-,20-,22-,23+,24-/m0/s1 |
| InChI Key | UIFIAESAENJBMZ-YSXGZYLPSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C24H29ClO10 |
| Molecular Weight | 512.90 g/mol |
| Exact Mass | 512.1449248 g/mol |
| Topological Polar Surface Area (TPSA) | 149.00 Ų |
| XlogP | 0.80 |
| There are no found synonyms. |
![2D Structure of [(1S,2R,4R,7S,8R,11R,12R,13S,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-hydroxyacetate](https://plantaedb.com/storage/docs/compounds/2023/11/0cab2ab0-8592-11ee-9f9f-a374dc17091a.jpg "2D Structure of [(1S,2R,4R,7S,8R,11R,12R,13S,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-hydroxyacetate")
| 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 | 97.79% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.05% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.17% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.20% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.08% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.82% | 96.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 91.65% | 97.79% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.67% | 91.19% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.39% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.30% | 89.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.09% | 89.34% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 84.01% | 95.71% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 83.85% | 91.24% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.52% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.36% | 90.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.27% | 91.07% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.24% | 93.04% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.48% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.77% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.71% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.19% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.57% | 97.14% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 80.22% | 98.03% |
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 | 10940207 |
| LOTUS | LTS0101816 |
| wikiData | Q105273343 |