17-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)-1-hydroxyethyl]-14,17-dihydroxy-10,13-dimethyl-3,7,8,9,11,12,15,16-octahydro-2H-cyclopenta[a]phenanthrene-1,4-dione
Internal ID | db902117-aefa-44b7-b032-5754445791c5 |
Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroid lactones > Withanolides and derivatives |
IUPAC Name | 17-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)-1-hydroxyethyl]-14,17-dihydroxy-10,13-dimethyl-3,7,8,9,11,12,15,16-octahydro-2H-cyclopenta[a]phenanthrene-1,4-dione |
SMILES (Canonical) | CC1=C(C(=O)OC(C1)C(C)(C2(CCC3(C2(CCC4C3CC=C5C4(C(=O)CCC5=O)C)C)O)O)O)C |
SMILES (Isomeric) | CC1=C(C(=O)OC(C1)C(C)(C2(CCC3(C2(CCC4C3CC=C5C4(C(=O)CCC5=O)C)C)O)O)O)C |
InChI | InChI=1S/C28H38O7/c1-15-14-22(35-23(31)16(15)2)26(5,32)28(34)13-12-27(33)18-6-7-19-20(29)8-9-21(30)25(19,4)17(18)10-11-24(27,28)3/h7,17-18,22,32-34H,6,8-14H2,1-5H3 |
InChI Key | XIQHFYLSBZLWQD-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C28H38O7 |
Molecular Weight | 486.60 g/mol |
Exact Mass | 486.26175355 g/mol |
Topological Polar Surface Area (TPSA) | 121.00 Ų |
XlogP | 1.50 |
There are no found synonyms. |
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 | 98.91% | 97.25% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.11% | 95.56% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.07% | 91.11% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 94.00% | 93.04% |
CHEMBL230 | P35354 | Cyclooxygenase-2 | 93.44% | 89.63% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.25% | 99.23% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.45% | 85.14% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.48% | 100.00% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.53% | 93.56% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.26% | 86.33% |
CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.18% | 93.03% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.19% | 97.14% |
CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 84.11% | 85.11% |
CHEMBL1871 | P10275 | Androgen Receptor | 83.90% | 96.43% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.68% | 89.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.89% | 95.89% |
CHEMBL5028 | O14672 | ADAM10 | 81.33% | 97.50% |
CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.29% | 100.00% |
CHEMBL2581 | P07339 | Cathepsin D | 81.20% | 98.95% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.19% | 94.00% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.90% | 100.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.49% | 97.09% |
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 viscosa |
PubChem | 73800703 |
LOTUS | LTS0098731 |
wikiData | Q105328671 |