3-(10,17,22-trihydroxy-9-methoxy-14,18-dimethyl-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacos-1-en-19-yl)-2H-furan-5-one
| Internal ID | a8269adc-e48b-4850-b2bf-10e807e2cf0a |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroid lactones |
| IUPAC Name | 3-(10,17,22-trihydroxy-9-methoxy-14,18-dimethyl-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacos-1-en-19-yl)-2H-furan-5-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H40O9/c1-26-13-21-20(37-25-29(33,38-21)23(34-3)7-9-35-25)11-16(26)4-5-18-19(26)12-22(30)27(2)17(6-8-28(18,27)32)15-10-24(31)36-14-15/h10-11,17-23,25,30,32-33H,4-9,12-14H2,1-3H3 |
| InChI Key | TWRRVMOZNXTRKY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H40O9 |
| Molecular Weight | 532.60 g/mol |
| Exact Mass | 532.26723285 g/mol |
| Topological Polar Surface Area (TPSA) | 124.00 Ų |
| XlogP | 0.50 |
| There are no found synonyms. |
![2D Structure of 3-(10,17,22-trihydroxy-9-methoxy-14,18-dimethyl-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacos-1-en-19-yl)-2H-furan-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/7c783b90-85dd-11ee-8a1d-8b9cca9150e3.jpg "2D Structure of 3-(10,17,22-trihydroxy-9-methoxy-14,18-dimethyl-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacos-1-en-19-yl)-2H-furan-5-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 | 98.98% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.30% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 96.24% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.74% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.27% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.15% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.96% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.63% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.54% | 97.25% |
| CHEMBL1871 | P10275 | Androgen Receptor | 89.17% | 96.43% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.05% | 92.62% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.98% | 97.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.90% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.83% | 94.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.29% | 96.77% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.55% | 92.94% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 85.49% | 91.38% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.98% | 95.93% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.38% | 89.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.34% | 82.69% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 80.79% | 97.36% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.78% | 92.50% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.44% | 92.88% |
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 | 14586319 |
| LOTUS | LTS0121116 |
| wikiData | Q105266046 |