[10,22-dihydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosan-9-yl] acetate
| Internal ID | 1240bc93-9831-48a0-bf07-73a47c2810cb |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroid lactones |
| IUPAC Name | [10,22-dihydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosan-9-yl] acetate |
| SMILES (Canonical) | CC1CC(C2(C(O1)OC3CC4CCC5C(C4CC3O2)CCC6(C5(CCC6C7=CC(=O)OC7)O)C)O)OC(=O)C |
| SMILES (Isomeric) | CC1CC(C2(C(O1)OC3CC4CCC5C(C4CC3O2)CCC6(C5(CCC6C7=CC(=O)OC7)O)C)O)OC(=O)C |
| InChI | InChI=1S/C30H42O9/c1-15-10-25(37-16(2)31)30(34)27(36-15)38-23-11-17-4-5-22-19(20(17)13-24(23)39-30)6-8-28(3)21(7-9-29(22,28)33)18-12-26(32)35-14-18/h12,15,17,19-25,27,33-34H,4-11,13-14H2,1-3H3 |
| InChI Key | INVXRWZQRHPHRX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H42O9 |
| Molecular Weight | 546.60 g/mol |
| Exact Mass | 546.28288291 g/mol |
| Topological Polar Surface Area (TPSA) | 121.00 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of [10,22-dihydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosan-9-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/6197d830-856c-11ee-831c-f7ed8b4a5b97.jpg "2D Structure of [10,22-dihydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosan-9-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 | 98.56% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.32% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.17% | 85.14% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 94.96% | 82.69% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.76% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.19% | 86.33% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 93.00% | 93.04% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 92.02% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.82% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 90.71% | 96.77% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 90.54% | 81.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.79% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.88% | 94.00% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 87.68% | 94.78% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.14% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.86% | 99.23% |
| CHEMBL5028 | O14672 | ADAM10 | 83.85% | 97.50% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 83.43% | 97.28% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.38% | 97.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.60% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.39% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.12% | 92.94% |
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.
| Asclepias vestita |
| PubChem | 14285068 |
| LOTUS | LTS0138939 |
| wikiData | Q105116463 |