QUINESTROL

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Trade Names
Synonyms
Status
Molecule Category Free-form
UNII JR0N7XD5GZ
EPA CompTox DTXSID6046553

Structure

InChI Key PWZUUYSISTUNDW-VAFBSOEGSA-N
Smiles C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC5CCCC5)ccc4[C@H]3CC[C@@]21C
InChI
InChI=1S/C25H32O2/c1-3-25(26)15-13-23-22-10-8-17-16-19(27-18-6-4-5-7-18)9-11-20(17)21(22)12-14-24(23,25)2/h1,9,11,16,18,21-23,26H,4-8,10,12-15H2,2H3/t21-,22-,23+,24+,25+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H32O2
Molecular Weight 364.53
AlogP 5.23
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 29.46
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 27.0

Pharmacology

Mechanism of Action Action Reference
Estrogen receptor agonist AGONIST PubMed PubMed

Target Conservation

Protein: Estrogen receptor
Description: Estrogen receptor
Organism : Homo sapiens
P03372 ENSG00000091831
Protein: Estrogen receptor
Description: Estrogen receptor beta
Organism : Homo sapiens
Q92731 ENSG00000140009

Related Entries

Cross References

Resources Reference
ChEBI 8716
ChEMBL CHEMBL1201165
DrugBank DB04575
DrugCentral 2342
FDA SRS JR0N7XD5GZ
Human Metabolome Database HMDB0015579
Guide to Pharmacology 7097
KEGG C07619
PharmGKB PA164749042
PubChem 9046
SureChEMBL SCHEMBL221134
ZINC ZINC000003875993
CONTENTS