Stereochemistry | ABSOLUTE |
Molecular Formula | C18H22O3 |
Molecular Weight | 286.3655 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]3([H])C4=C(CC[C@@]23[H])C(O)=C(O)C=C4
InChI
InChIKey=XQZVQQZZOVBNLU-QDTBLXIISA-N
InChI=1S/C18H22O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,19,21H,2-3,5,7-9H2,1H3/t11-,12-,14+,18+/m1/s1
Molecular Formula | C18H22O3 |
Molecular Weight | 286.3655 |
Charge | 0 |
Count |
MOL RATIO
1 MOL RATIO (average) |
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
4-Hydroxyestrone (4-OHE1) is a carcinogenic metabolite originating from 17beta-estradiol (17β-E2) hormone. 4-OHE1 was a partial estrogen agonist on cancellous bone turnover, similar to 17β-E2, is able to emit electrons from its excited singlet state. The quantum yield is nearly the same like this of 17β-E2 and decreases with increasing substrate concentration, but enhances with temperature. The 4-OHE1 transient derived from the electron ejection process is leading to the formation of a secondary metabolite by reaction with the present C2H4OH radical. This fact indicates, that depending on the life habits of a person, a variety of metabolites can be formed, also such initiating cancer.
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
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Conditions
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