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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H20O2
Molecular Weight 268.3502
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EQUILIN

SMILES

[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]3([H])C2=CCC4=C3C=CC(O)=C4

InChI

InChIKey=WKRLQDKEXYKHJB-HFTRVMKXSA-N
InChI=1S/C18H20O2/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,2,6-9H2,1H3/t14-,16+,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H20O2
Molecular Weight 268.3502
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

Equilin is one of the active components of estrogens used in estrogen replacement therapy. This compound is used as a sulfate conjugate in drug Premarin. Equili is an inhibitor of 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1), a key enzyme responsible for elevated levels of 17beta-estradiol (E2) in breast tumor tissues. Thus equilin reduce the E2 levels in breast tissues and hence the reduce risk of estrogen-dependent breast cancer.

Approval Year

Targets

Primary TargetPharmacologyConditionPotency

Conditions

ConditionModalityTargetsHighest PhaseProduct

PubMed

Patents

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Record UNII
08O86EX0J4
Record Status Validated (UNII)
Record Version