estrone

PubChem Notes:

Estrone An aromatized C18 steroid with a 3-hydroxyl group and a 17-ketone, a major mammalian estrogen. It is converted from ANDROSTENEDIONE directly, or from TESTOSTERONE via ESTRADIOL. In humans, it is produced primarily by the cyclic ovaries, PLACENTA, and the ADIPOSE TISSUE of men and postmenopausal women.

Molecular Formula: C18H22O2


InChI: InChI=1/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3

InChIKey: InChIKey=DNXHEGUUPJUMQT-UHFFFAOYAI
SMILES: CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O

Names:
    Estra-1,3,5(10)-trien-17-one, 3-hydroxy-
    estrone
    3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

Registries:
    PubChem CID 698
    PubChem ID 10468445