17-(1-hydroxyethyl)-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,8,11,12,14-pentol
| Internal ID | 316e4a0a-09f7-4644-8980-53eece8d52fd |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Pregnane steroids > Gluco/mineralocorticoids, progestogins and derivatives |
| IUPAC Name | 17-(1-hydroxyethyl)-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,8,11,12,14-pentol |
| SMILES (Canonical) | CC(C1CCC2(C1(C(C(C3C2(CC=C4C3(CCC(C4)O)C)O)O)O)C)O)O |
| SMILES (Isomeric) | CC(C1CCC2(C1(C(C(C3C2(CC=C4C3(CCC(C4)O)C)O)O)O)C)O)O |
| InChI | InChI=1S/C21H34O6/c1-11(22)14-6-9-21(27)19(14,3)17(25)15(24)16-18(2)7-5-13(23)10-12(18)4-8-20(16,21)26/h4,11,13-17,22-27H,5-10H2,1-3H3 |
| InChI Key | ZKHPKHVTGSOEKJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H34O6 |
| Molecular Weight | 382.50 g/mol |
| Exact Mass | 382.23553880 g/mol |
| Topological Polar Surface Area (TPSA) | 121.00 Ų |
| XlogP | -0.30 |
| There are no found synonyms. |
![2D Structure of 17-(1-hydroxyethyl)-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,8,11,12,14-pentol](https://plantaedb.com/storage/docs/compounds/2023/11/3e45ab20-856e-11ee-a5c1-eb1a47804f80.jpg "2D Structure of 17-(1-hydroxyethyl)-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,8,11,12,14-pentol")
| 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 | 97.49% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.28% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.77% | 97.25% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 93.52% | 95.93% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.33% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.98% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.80% | 91.11% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.77% | 97.79% |
| CHEMBL4072 | P07858 | Cathepsin B | 84.16% | 93.67% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.73% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.01% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.75% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.58% | 90.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.22% | 100.00% |
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.
| Hoya carnosa |
| PubChem | 577733 |
| LOTUS | LTS0019803 |
| wikiData | Q105378460 |