[10,22-dihydroxy-9-methoxy-7,14,18-trimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacos-1-en-20-yl] acetate
| Internal ID | 61d4a850-f026-45d9-83b5-b4e3cb48cea0 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroid esters |
| IUPAC Name | [10,22-dihydroxy-9-methoxy-7,14,18-trimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacos-1-en-20-yl] acetate |
| SMILES (Canonical) | CC1CC(C2(C(O1)OC3C=C4CCC5C(C4(CC3O2)C)CCC6(C5(CC(C6C7=CC(=O)OC7)OC(=O)C)O)C)O)OC |
| SMILES (Isomeric) | CC1CC(C2(C(O1)OC3C=C4CCC5C(C4(CC3O2)C)CCC6(C5(CC(C6C7=CC(=O)OC7)OC(=O)C)O)C)O)OC |
| InChI | InChI=1S/C32H44O10/c1-16-10-25(37-5)32(36)28(39-16)41-22-12-19-6-7-21-20(29(19,3)13-23(22)42-32)8-9-30(4)27(18-11-26(34)38-15-18)24(40-17(2)33)14-31(21,30)35/h11-12,16,20-25,27-28,35-36H,6-10,13-15H2,1-5H3 |
| InChI Key | CTLHRQFAFGUEQH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H44O10 |
| Molecular Weight | 588.70 g/mol |
| Exact Mass | 588.29344760 g/mol |
| Topological Polar Surface Area (TPSA) | 130.00 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of [10,22-dihydroxy-9-methoxy-7,14,18-trimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacos-1-en-20-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/0ac29050-8548-11ee-87c1-03f585043e8b.jpg "2D Structure of [10,22-dihydroxy-9-methoxy-7,14,18-trimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacos-1-en-20-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 | 98.68% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 95.82% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.59% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.96% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.77% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.51% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.21% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.57% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.40% | 97.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.56% | 94.00% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 87.26% | 81.11% |
| CHEMBL1871 | P10275 | Androgen Receptor | 86.43% | 96.43% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.16% | 92.94% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.04% | 91.07% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 85.09% | 97.28% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.57% | 92.50% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 84.11% | 85.30% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.49% | 92.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.36% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.19% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.93% | 99.23% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.86% | 96.77% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 82.61% | 97.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.54% | 91.19% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.67% | 97.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.50% | 89.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.19% | 82.69% |
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 | 73316258 |
| LOTUS | LTS0072916 |
| wikiData | Q104969859 |