Nanjiol A
| Internal ID | 154b704b-9e0f-41a9-8c24-5e1c06ff0a21 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cholestane steroids > Cholesterols and derivatives |
| IUPAC Name | [(8R,9S,10R,12R,13S,14S,16S,17R)-12-acetyloxy-17-[(2S)-2-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C31H46O6/c1-18(2)9-8-13-30(6,35)28-26(36-19(3)32)16-25-23-11-10-21-15-22(34)12-14-29(21,5)24(23)17-27(31(25,28)7)37-20(4)33/h12,14-15,18,23-28,35H,8-11,13,16-17H2,1-7H3/t23-,24+,25+,26+,27-,28-,29+,30+,31-/m1/s1 |
| InChI Key | SDZLLHVVNDYMTJ-FZRPPXKSSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C31H46O6 |
| Molecular Weight | 514.70 g/mol |
| Exact Mass | 514.32943918 g/mol |
| Topological Polar Surface Area (TPSA) | 89.90 Ų |
| XlogP | 5.60 |
| [(8R,9S,10R,12R,13S,14S,16S,17R)-12-Acetyloxy-17-[(2S)-2-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-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 | 98.73% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.05% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.45% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.14% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.12% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 93.02% | 100.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 91.59% | 95.93% |
| CHEMBL1871 | P10275 | Androgen Receptor | 91.57% | 96.43% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.95% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.54% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.82% | 95.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 88.48% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.42% | 95.89% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.40% | 97.79% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.34% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.31% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.11% | 89.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 84.85% | 91.03% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.88% | 99.17% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 83.37% | 89.63% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.67% | 91.19% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 82.27% | 97.33% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.12% | 89.50% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.70% | 90.08% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 80.67% | 90.93% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.44% | 92.62% |
| CHEMBL5028 | O14672 | ADAM10 | 80.20% | 97.50% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.09% | 93.56% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 10864186 |
| LOTUS | LTS0095308 |
| wikiData | Q105250937 |