2-[1-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl]-5-methylpyridin-3-ol
| Internal ID | eab6f7cf-629e-480d-b8fd-e3caa35d5019 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Pregnane steroids > Gluco/mineralocorticoids, progestogins and derivatives |
| IUPAC Name | 2-[1-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl]-5-methylpyridin-3-ol |
| SMILES (Canonical) | CC1=CC(=C(N=C1)C(C)C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)O)C)C)O |
| SMILES (Isomeric) | CC1=CC(=C(N=C1)C(C)C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)O)C)C)O |
| InChI | InChI=1S/C27H39NO2/c1-16-13-24(30)25(28-15-16)17(2)21-7-8-22-20-6-5-18-14-19(29)9-11-26(18,3)23(20)10-12-27(21,22)4/h5,13,15,17,19-23,29-30H,6-12,14H2,1-4H3 |
| InChI Key | RODDEOSIMRCKKR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H39NO2 |
| Molecular Weight | 409.60 g/mol |
| Exact Mass | 409.298079487 g/mol |
| Topological Polar Surface Area (TPSA) | 53.40 Ų |
| XlogP | 6.10 |
| There are no found synonyms. |
![2D Structure of 2-[1-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl]-5-methylpyridin-3-ol](https://plantaedb.com/storage/docs/compounds/2023/11/86242cd0-855e-11ee-81f9-59a1b2086eec.jpg "2D Structure of 2-[1-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl]-5-methylpyridin-3-ol")
| 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 | 96.54% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.67% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 94.64% | 94.75% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.54% | 99.15% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 93.26% | 90.71% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 93.20% | 97.53% |
| CHEMBL204 | P00734 | Thrombin | 91.84% | 96.01% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 91.07% | 95.89% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 89.83% | 91.03% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.96% | 93.40% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 88.28% | 89.67% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.13% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.39% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.25% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.55% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.03% | 95.56% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 85.98% | 97.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.96% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.33% | 97.09% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 84.24% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.60% | 89.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.35% | 93.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.23% | 98.75% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.13% | 95.93% |
| CHEMBL290 | Q13370 | Phosphodiesterase 3B | 82.65% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.92% | 90.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.76% | 93.99% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 80.91% | 92.68% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 80.71% | 89.05% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 80.67% | 90.71% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 80.46% | 93.18% |
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.
| Eclipta prostrata |
| PubChem | 85088552 |
| LOTUS | LTS0156923 |
| wikiData | Q105242117 |