16-Hydroxy-17-(2-hydroxy-5,6-dimethylhept-3-en-2-yl)-13-(hydroxymethyl)-10-methyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
| Internal ID | 0623a232-8b6b-4110-9374-8681a307a907 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Ergostane steroids > Ergosterols and derivatives |
| IUPAC Name | 16-hydroxy-17-(2-hydroxy-5,6-dimethylhept-3-en-2-yl)-13-(hydroxymethyl)-10-methyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H44O4/c1-17(2)18(3)8-12-27(5,32)25-24(31)15-23-21-7-6-19-14-20(30)9-11-26(19,4)22(21)10-13-28(23,25)16-29/h8-9,11-12,17-19,21-25,29,31-32H,6-7,10,13-16H2,1-5H3 |
| InChI Key | NYXIHJMIRFLNCA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H44O4 |
| Molecular Weight | 444.60 g/mol |
| Exact Mass | 444.32395988 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 5.20 |
| There are no found synonyms. |
![2D Structure of 16-Hydroxy-17-(2-hydroxy-5,6-dimethylhept-3-en-2-yl)-13-(hydroxymethyl)-10-methyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/b6b54680-852f-11ee-8231-819954209ea8.jpg "2D Structure of 16-Hydroxy-17-(2-hydroxy-5,6-dimethylhept-3-en-2-yl)-13-(hydroxymethyl)-10-methyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.97% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.96% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.54% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.45% | 98.95% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 93.85% | 97.79% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 93.17% | 82.69% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 92.99% | 98.03% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.51% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.21% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 91.47% | 95.93% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.53% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.99% | 94.45% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.87% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.46% | 86.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.34% | 91.07% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.08% | 93.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.91% | 96.77% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.00% | 97.14% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 83.45% | 97.05% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 82.67% | 95.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.58% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.07% | 89.00% |
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.
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| There are no matching plants. |
| PubChem | 74000053 |
| LOTUS | LTS0034866 |
| wikiData | Q105187760 |