10,16,22-trihydroxy-9-methoxy-14,18-dimethyl-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-17-one
| Internal ID | ff44916b-e351-453c-adb2-41d27d415a7f |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroid lactones |
| IUPAC Name | 10,16,22-trihydroxy-9-methoxy-14,18-dimethyl-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-17-one |
| SMILES (Canonical) | CC12CC3C(C=C1CCC4C2C(C(=O)C5(C4(CCC5C6=CC(=O)OC6)O)C)O)OC7C(O3)(C(CCO7)OC)O |
| SMILES (Isomeric) | CC12CC3C(C=C1CCC4C2C(C(=O)C5(C4(CCC5C6=CC(=O)OC6)O)C)O)OC7C(O3)(C(CCO7)OC)O |
| InChI | InChI=1S/C29H38O10/c1-26-12-19-18(38-25-29(34,39-19)20(35-3)7-9-36-25)11-15(26)4-5-17-22(26)23(31)24(32)27(2)16(6-8-28(17,27)33)14-10-21(30)37-13-14/h10-11,16-20,22-23,25,31,33-34H,4-9,12-13H2,1-3H3 |
| InChI Key | RHIFPXLVRCEHTE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H38O10 |
| Molecular Weight | 546.60 g/mol |
| Exact Mass | 546.24649740 g/mol |
| Topological Polar Surface Area (TPSA) | 141.00 Ų |
| XlogP | -0.40 |
| There are no found synonyms. |
![2D Structure of 10,16,22-trihydroxy-9-methoxy-14,18-dimethyl-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-17-one](https://plantaedb.com/storage/docs/compounds/2023/11/d3b0bd40-8574-11ee-ab42-bd3daaa8e800.jpg "2D Structure of 10,16,22-trihydroxy-9-methoxy-14,18-dimethyl-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-17-one")
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.69% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.15% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 95.95% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.79% | 86.33% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.60% | 83.82% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.10% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.73% | 91.11% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 91.30% | 91.38% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.63% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.63% | 95.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 90.36% | 96.77% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.95% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.47% | 95.89% |
| CHEMBL1871 | P10275 | Androgen Receptor | 88.77% | 96.43% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.48% | 97.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.21% | 92.62% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.80% | 97.25% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.81% | 92.94% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 84.34% | 92.88% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.78% | 95.93% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.42% | 89.00% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 83.16% | 97.28% |
| CHEMBL204 | P00734 | Thrombin | 83.01% | 96.01% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.83% | 98.95% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.72% | 92.50% |
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 | 14094968 |
| LOTUS | LTS0076456 |
| wikiData | Q105236395 |