ESTETROL

Search structure
Synonyms:
Status: Approved (2021)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: ENB39R14VF

Structure
InChI Key AJIPIJNNOJSSQC-NYLIRDPKSA-N
Smile C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1[C@@H](O)[C@@H](O)[C@@H]2O
InChI
InChI=1S/C18H24O4/c1-18-7-6-12-11-5-3-10(19)8-9(11)2-4-13(12)14(18)15(20)16(21)17(18)22/h3,5,8,12-17,19-22H,2,4,6-7H2,1H3/t12-,13-,14-,15-,16-,17+,18+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H24O4
Molecular Weight 304.39
AlogP 1.55
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 0.0
Polar Surface Area 80.92
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 22.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Estrogen receptor agonist

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pregnancy 4 D011247 FDA
Breast Neoplasms 2 D001943 ClinicalTrials
Prostatic Neoplasms 2 D011471 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Menopause 1 D008593 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 142773
ChEMBL CHEMBL1230314
DrugBank DB12235
DrugCentral 5450
EPA CompTox DTXSID50164888
FDA SRS ENB39R14VF
PDB 4OH
PubChem 27125
SureChEMBL SCHEMBL145580
ZINC ZINC000005764481
CONTENTS