17-Deoxyestradiol
| Internal ID | a2424b02-5885-4bc3-8f04-1dc29bb46da2 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Estrane steroids > Estrogens and derivatives |
| IUPAC Name | (8S,9S,13S,14S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol |
| SMILES (Canonical) | CC12CCCC1C3CCC4=C(C3CC2)C=CC(=C4)O |
| SMILES (Isomeric) | C[C@@]12CCC[C@H]1[C@@H]3CCC4=C([C@H]3CC2)C=CC(=C4)O |
| InChI | InChI=1S/C18H24O/c1-18-9-2-3-17(18)16-6-4-12-11-13(19)5-7-14(12)15(16)8-10-18/h5,7,11,15-17,19H,2-4,6,8-10H2,1H3/t15-,16-,17+,18+/m1/s1 |
| InChI Key | HJKVPZJVBHWFCQ-BDXSIMOUSA-N |
| Popularity | 27 references in papers |
| Molecular Formula | C18H24O |
| Molecular Weight | 256.40 g/mol |
| Exact Mass | 256.182715385 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 5.60 |
| 17-Desoxyestradiol |
| 17-Deoxyestrone |
| Deoxoestrone |
| Estrone, 17-deoxy- |
| 53-63-4 |
| 3-Hydroxyestra-1,3,5(10)-triene |
| 17-Deoxyoestrone |
| ESTRA-1,3,5(10)-TRIEN-3-OL |
| 17-deoxoestrone |
| 17-Desoxyestrone |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL3305 | P04278 | Testis-specific androgen-binding protein |
5.012 nM |
Kd |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL242 | Q92731 | Estrogen receptor beta | 98.47% | 98.35% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 98.09% | 89.05% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.28% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.19% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.01% | 94.45% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 92.81% | 97.64% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.67% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.19% | 86.33% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 90.42% | 91.79% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.60% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.56% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.48% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.96% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.45% | 95.56% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 85.21% | 91.71% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.54% | 89.62% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 84.41% | 97.33% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 84.06% | 91.23% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.57% | 93.99% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 82.31% | 95.38% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 82.22% | 95.62% |
| CHEMBL238 | Q01959 | Dopamine transporter | 82.17% | 95.88% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.59% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.58% | 90.71% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.39% | 95.93% |
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.
| Glycine max |
| PubChem | 5888 |
| NPASS | NPC322753 |
| ChEMBL | CHEMBL261406 |