[5,6,14,17-tetrahydroxy-17-[1-hydroxy-1-[4-(hydroxymethyl)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-10-methyl-1-oxo-6,7,8,9,11,12,15,16-octahydro-4H-cyclopenta[a]phenanthren-13-yl]methyl acetate
Internal ID | cf311f35-f01d-4ca5-b38d-1227250feca2 |
Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroid lactones > Withanolides and derivatives |
IUPAC Name | [5,6,14,17-tetrahydroxy-17-[1-hydroxy-1-[4-(hydroxymethyl)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-10-methyl-1-oxo-6,7,8,9,11,12,15,16-octahydro-4H-cyclopenta[a]phenanthren-13-yl]methyl acetate |
SMILES (Canonical) | CC1=C(CC(OC1=O)C(C)(C2(CCC3(C2(CCC4C3CC(C5(C4(C(=O)C=CC5)C)O)O)COC(=O)C)O)O)O)CO |
SMILES (Isomeric) | CC1=C(CC(OC1=O)C(C)(C2(CCC3(C2(CCC4C3CC(C5(C4(C(=O)C=CC5)C)O)O)COC(=O)C)O)O)O)CO |
InChI | InChI=1S/C30H42O11/c1-16-18(14-31)12-23(41-24(16)35)26(4,36)30(39)11-10-28(37)20-13-22(34)29(38)8-5-6-21(33)25(29,3)19(20)7-9-27(28,30)15-40-17(2)32/h5-6,19-20,22-23,31,34,36-39H,7-15H2,1-4H3 |
InChI Key | CDVYESFDLOEWEP-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C30H42O11 |
Molecular Weight | 578.60 g/mol |
Exact Mass | 578.27271215 g/mol |
Topological Polar Surface Area (TPSA) | 191.00 Ų |
XlogP | -1.10 |
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 | 99.47% | 97.25% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.44% | 85.14% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.67% | 91.11% |
CHEMBL230 | P35354 | Cyclooxygenase-2 | 95.52% | 89.63% |
CHEMBL2581 | P07339 | Cathepsin D | 93.73% | 98.95% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 93.39% | 97.14% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.28% | 97.09% |
CHEMBL2996 | Q05655 | Protein kinase C delta | 91.83% | 97.79% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.61% | 100.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.74% | 86.33% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.58% | 95.56% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.13% | 89.00% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.11% | 96.09% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.40% | 82.69% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.16% | 94.45% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.90% | 91.19% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.59% | 92.62% |
CHEMBL5028 | O14672 | ADAM10 | 85.24% | 97.50% |
CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 85.07% | 90.93% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.42% | 99.23% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.14% | 95.89% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.54% | 93.56% |
CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.54% | 90.08% |
CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 80.39% | 96.39% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.16% | 93.04% |
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 peruviana |
PubChem | 162986311 |
LOTUS | LTS0231512 |
wikiData | Q104955247 |