3-Hydroxy-17-[1-(3-hydroxy-5-methylpyridin-2-yl)ethyl]-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
| Internal ID | 29f61805-176f-486f-b731-ff78aa9570ce |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Pregnane steroids > Gluco/mineralocorticoids, progestogins and derivatives |
| IUPAC Name | 3-hydroxy-17-[1-(3-hydroxy-5-methylpyridin-2-yl)ethyl]-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one |
| SMILES (Canonical) | CC1=CC(=C(N=C1)C(C)C2CCC3C2(CCC4C3CC(=O)C5C4(CCC(C5)O)C)C)O |
| SMILES (Isomeric) | CC1=CC(=C(N=C1)C(C)C2CCC3C2(CCC4C3CC(=O)C5C4(CCC(C5)O)C)C)O |
| InChI | InChI=1S/C27H39NO3/c1-15-11-24(31)25(28-14-15)16(2)19-5-6-20-18-13-23(30)22-12-17(29)7-9-27(22,4)21(18)8-10-26(19,20)3/h11,14,16-22,29,31H,5-10,12-13H2,1-4H3 |
| InChI Key | NMHCTUTYNGBHMC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H39NO3 |
| Molecular Weight | 425.60 g/mol |
| Exact Mass | 425.29299411 g/mol |
| Topological Polar Surface Area (TPSA) | 70.40 Ų |
| XlogP | 5.20 |
| There are no found synonyms. |
![2D Structure of 3-Hydroxy-17-[1-(3-hydroxy-5-methylpyridin-2-yl)ethyl]-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/b9316b20-84dd-11ee-a1d2-d9e1c38107a6.jpg "2D Structure of 3-Hydroxy-17-[1-(3-hydroxy-5-methylpyridin-2-yl)ethyl]-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.13% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 96.41% | 94.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.37% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 94.09% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.10% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.81% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.04% | 99.15% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 88.93% | 97.53% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.86% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.65% | 98.95% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 88.02% | 91.03% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.41% | 89.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.38% | 95.89% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 87.04% | 99.18% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.99% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.55% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.11% | 99.23% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 84.76% | 100.00% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 84.57% | 85.11% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 84.56% | 92.88% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.55% | 90.00% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 83.92% | 92.68% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 83.59% | 97.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.28% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.86% | 98.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.82% | 94.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.69% | 91.07% |
| CHEMBL204 | P00734 | Thrombin | 82.42% | 96.01% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.31% | 93.40% |
| CHEMBL290 | Q13370 | Phosphodiesterase 3B | 81.15% | 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.
| Fritillaria imperialis |
| Fritillaria raddeana |
| PubChem | 162966835 |
| LOTUS | LTS0115419 |
| wikiData | Q104396128 |