7,8,18-Trihydroxy-17-methoxy-3',4',8,10,14-pentamethylspiro[5,20-dioxahexacyclo[11.9.0.02,10.04,9.014,19.019,21]docosane-6,5'-oxolane]-2',15-dione
| Internal ID | dcf9ae69-8bdc-417e-8542-227e4766a688 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroid lactones > Withanolides and derivatives |
| IUPAC Name | 7,8,18-trihydroxy-17-methoxy-3',4',8,10,14-pentamethylspiro[5,20-dioxahexacyclo[11.9.0.02,10.04,9.014,19.019,21]docosane-6,5'-oxolane]-2',15-dione |
| SMILES (Canonical) | CC1C(C2(C(C(C3C(O2)CC4C3(CCC5C4CC6C7(C5(C(=O)CC(C7O)OC)C)O6)C)(C)O)O)OC1=O)C |
| SMILES (Isomeric) | CC1C(C2(C(C(C3C(O2)CC4C3(CCC5C4CC6C7(C5(C(=O)CC(C7O)OC)C)O6)C)(C)O)O)OC1=O)C |
| InChI | InChI=1S/C29H42O9/c1-12-13(2)29(38-23(12)32)24(33)27(5,34)21-17(36-29)10-16-14-9-20-28(37-20)22(31)18(35-6)11-19(30)26(28,4)15(14)7-8-25(16,21)3/h12-18,20-22,24,31,33-34H,7-11H2,1-6H3 |
| InChI Key | FMXASOLJOQKFKS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H42O9 |
| Molecular Weight | 534.60 g/mol |
| Exact Mass | 534.28288291 g/mol |
| Topological Polar Surface Area (TPSA) | 135.00 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
![2D Structure of 7,8,18-Trihydroxy-17-methoxy-3',4',8,10,14-pentamethylspiro[5,20-dioxahexacyclo[11.9.0.02,10.04,9.014,19.019,21]docosane-6,5'-oxolane]-2',15-dione](https://plantaedb.com/storage/docs/compounds/2023/11/17603fb0-861e-11ee-bed1-99a62402bffc.jpg "2D Structure of 7,8,18-Trihydroxy-17-methoxy-3',4',8,10,14-pentamethylspiro[5,20-dioxahexacyclo[11.9.0.02,10.04,9.014,19.019,21]docosane-6,5'-oxolane]-2',15-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL204 | P00734 | Thrombin | 96.40% | 96.01% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.43% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.23% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.01% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.26% | 97.25% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 89.17% | 97.05% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.56% | 92.94% |
| CHEMBL1871 | P10275 | Androgen Receptor | 88.03% | 96.43% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.97% | 86.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.74% | 97.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.52% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.52% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.33% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.93% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.24% | 94.75% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 82.24% | 97.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.70% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.54% | 94.00% |
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.
| Physalis philadelphica |
| PubChem | 74822192 |
| LOTUS | LTS0148902 |
| wikiData | Q104998122 |