16b,23S-Diepoxy-4b,20R,22S-trihydroxy-1-oxo-5b-ergost-2-eno-26,23S-lactone
Internal ID | 863f9cb0-a9b3-4eff-a54d-046dcdf7e281 |
Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroid lactones > Withanolides and derivatives |
IUPAC Name | 7,8,18-trihydroxy-3',4',8,10,14-pentamethylspiro[5,20-dioxahexacyclo[11.9.0.02,10.04,9.014,19.019,21]docos-16-ene-6,5'-oxolane]-2',15-dione |
SMILES (Canonical) | CC1C(C2(C(C(C3C(O2)CC4C3(CCC5C4CC6C7(C5(C(=O)C=CC7O)C)O6)C)(C)O)O)OC1=O)C |
SMILES (Isomeric) | CC1C(C2(C(C(C3C(O2)CC4C3(CCC5C4CC6C7(C5(C(=O)C=CC7O)C)O6)C)(C)O)O)OC1=O)C |
InChI | InChI=1S/C28H38O8/c1-12-13(2)28(36-22(12)31)23(32)26(5,33)21-17(34-28)11-16-14-10-20-27(35-20)19(30)7-6-18(29)25(27,4)15(14)8-9-24(16,21)3/h6-7,12-17,19-21,23,30,32-33H,8-11H2,1-5H3 |
InChI Key | RJARWAVNDSGUGC-UHFFFAOYSA-N |
Popularity | 4 references in papers |
Molecular Formula | C28H38O8 |
Molecular Weight | 502.60 g/mol |
Exact Mass | 502.25666817 g/mol |
Topological Polar Surface Area (TPSA) | 126.00 Ų |
XlogP | 1.80 |
5,6b |
16b,23S-Diepoxy-4b,20R,22S-trihydroxy-1-oxo-5b-ergost-2-eno-26,23S-lactone |
![2D Structure of 16b,23S-Diepoxy-4b,20R,22S-trihydroxy-1-oxo-5b-ergost-2-eno-26,23S-lactone 2D Structure of 16b,23S-Diepoxy-4b,20R,22S-trihydroxy-1-oxo-5b-ergost-2-eno-26,23S-lactone](https://plantaedb.com/storage/docs/compounds/2023/11/16b23s-diepoxy-4b20r22s-trihydroxy-1-oxo-5b-ergost-2-eno-2623s-lactone.jpg)
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 |
---|---|---|---|---|
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.50% | 97.25% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.86% | 91.11% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.87% | 95.56% |
CHEMBL1871 | P10275 | Androgen Receptor | 90.25% | 96.43% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.89% | 96.09% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.05% | 97.09% |
CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 88.03% | 94.50% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.74% | 100.00% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.74% | 97.14% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.11% | 94.45% |
CHEMBL2581 | P07339 | Cathepsin D | 83.68% | 98.95% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.06% | 82.69% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.81% | 95.89% |
CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.97% | 97.28% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.20% | 86.33% |
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 | 74821938 |
LOTUS | LTS0178443 |
wikiData | Q105237335 |