[10-Acetyloxy-5-hydroxy-16-[1-(4-hydroxy-4,5-dimethyl-6-oxooxan-2-yl)ethyl]-11,15-dimethyl-3,8-dioxahexacyclo[10.7.0.02,4.05,11.07,9.015,19]nonadecan-14-yl] acetate
| Internal ID | 6b9bb87c-29e1-4d3b-97d2-72d52b9f3db4 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroid lactones > Withanolides and derivatives |
| IUPAC Name | [10-acetyloxy-5-hydroxy-16-[1-(4-hydroxy-4,5-dimethyl-6-oxooxan-2-yl)ethyl]-11,15-dimethyl-3,8-dioxahexacyclo[10.7.0.02,4.05,11.07,9.015,19]nonadecan-14-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H46O10/c1-13(20-11-29(5,36)14(2)28(35)41-20)17-8-9-18-23-19(10-22(30(17,18)6)38-15(3)33)31(7)26(39-16(4)34)24-21(40-24)12-32(31,37)27-25(23)42-27/h13-14,17-27,36-37H,8-12H2,1-7H3 |
| InChI Key | UBZJVFYBDALJKJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H46O10 |
| Molecular Weight | 590.70 g/mol |
| Exact Mass | 590.30909766 g/mol |
| Topological Polar Surface Area (TPSA) | 144.00 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of [10-Acetyloxy-5-hydroxy-16-[1-(4-hydroxy-4,5-dimethyl-6-oxooxan-2-yl)ethyl]-11,15-dimethyl-3,8-dioxahexacyclo[10.7.0.02,4.05,11.07,9.015,19]nonadecan-14-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/c168b9b0-8577-11ee-98ea-d597835598ed.jpg "2D Structure of [10-Acetyloxy-5-hydroxy-16-[1-(4-hydroxy-4,5-dimethyl-6-oxooxan-2-yl)ethyl]-11,15-dimethyl-3,8-dioxahexacyclo[10.7.0.02,4.05,11.07,9.015,19]nonadecan-14-yl] 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 | 96.68% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.87% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.60% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.67% | 91.11% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.90% | 91.19% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 90.78% | 85.31% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 90.57% | 97.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.78% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.63% | 86.33% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 89.26% | 96.38% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.12% | 94.45% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 88.82% | 91.07% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.46% | 99.23% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 87.29% | 89.50% |
| CHEMBL4072 | P07858 | Cathepsin B | 87.17% | 93.67% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.86% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.87% | 89.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.61% | 92.50% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.14% | 93.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.66% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.01% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.02% | 95.89% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.45% | 96.47% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.10% | 95.89% |
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.
| Tacca plantaginea |
| PubChem | 73235293 |
| LOTUS | LTS0059538 |
| wikiData | Q105269760 |