| Primary information |
|---|
| ID | 20385 |
| Pubchem ID | 115116 |
| Name | 16a-Hydroxyestrone |
| Description | 16a-Hydroxyestrone or 16alpha-hydroxyestrone (16alpha-OH-E1 or 16a OHE1); or hydroxyestrone; is an endogenous steroidal estrogen and a major metabolite of estrone and estradiol. 16a-hydroxyestrone belongs to the class of organic compounds known as estrogens and derivatives. |
| Synonym | 16 alpha OHE;3;16alpha-Dihydroxy-1;3;5(10)-estratrien-17-one;3;16alpha-Dihydroxyestra-1;3;5(10)-trien-17-one;Estra-1;3;5(10)-triene-3;16alpha-diol-17-one;16 a OHE;16 Α ohe;3;16a-Dihydroxy-1;3;5(10)-es |
| Molecular Weight | 286.3655 |
| Formula | C18H22O3 |
| IUPAC | (1S;10R;11S;13R;15S)-5;13-dihydroxy-15-methyltetracyclo[8.7.0.0^{2;7}.0^{11;15}]heptadeca-2(7);3;5-trien-14-one |
| SMILE | [H][C@@]12C[C@@H](O)C(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 |
| PDB ID | NA |
| KEGG | C05300 |
| HMDB ID | HMDB0000335 |
| Melting Point (Degree C) | NA |
| Water Solubility | NA |
| Drugbank ID | NA |
| Receptor | NA |
| Reference | HMDB
|