Estriol
| Internal ID | 186837c8-bec1-4ba7-8280-3fc71f0e3e95 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Estrane steroids > Estrogens and derivatives |
| IUPAC Name | (8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol |
| SMILES (Canonical) | CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)O |
| SMILES (Isomeric) | C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)O |
| InChI | InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1 |
| InChI Key | PROQIPRRNZUXQM-ZXXIGWHRSA-N |
| Popularity | 11,912 references in papers |
| Molecular Formula | C18H24O3 |
| Molecular Weight | 288.40 g/mol |
| Exact Mass | 288.17254462 g/mol |
| Topological Polar Surface Area (TPSA) | 60.70 Ų |
| XlogP | 2.50 |
| 50-27-1 |
| Oestriol |
| Trihydroxyestrin |
| Aacifemine |
| Estratriol |
| Ovestrion |
| Destriol |
| Ovestin |
| Theelol |
| Tridestrin |
| 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 |
|---|---|---|---|---|---|
| CHEMBL206 | P03372 | Estrogen receptor alpha |
1.995 nM 72 nM |
EC50 EC50 |
via Super-PRED
via Super-PRED |
| CHEMBL242 | Q92731 | Estrogen receptor beta |
0.1259 nM 11 nM |
EC50 EC50 |
via Super-PRED
via Super-PRED |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha |
79.4 nM |
Potency |
via Super-PRED
|
| CHEMBL1293235 | P02545 | Prelamin-A/C |
223.9 nM |
Potency |
via Super-PRED
|
| CHEMBL3305 | P04278 | Testis-specific androgen-binding protein |
234.42 nM |
Kd |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.09% | 91.11% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 97.86% | 89.05% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 97.17% | 95.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.28% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.10% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.96% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 92.34% | 100.00% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 90.24% | 91.79% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 90.10% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.01% | 86.33% |
| CHEMBL238 | Q01959 | Dopamine transporter | 88.90% | 95.88% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.55% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.68% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.52% | 97.25% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.70% | 90.71% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 84.52% | 97.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.47% | 95.89% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 84.02% | 95.62% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.71% | 89.62% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 82.87% | 97.23% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.99% | 100.00% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 81.85% | 85.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.98% | 93.40% |
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.
| Arabidopsis thaliana |
| Artemisia rutifolia |
| PubChem | 5756 |
| LOTUS | LTS0198253 |
| wikiData | Q105114327 |