QUINESTROL

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Trade Names:
Synonyms:
Status: Approved (1982)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: JR0N7XD5GZ

Structure
InChI Key PWZUUYSISTUNDW-VAFBSOEGSA-N
Smile 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

Action Mechanism of Action Reference
AGONIST Estrogen receptor agonist PubMed PubMed

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 152-43-2
ChEBI 8716
ChEMBL CHEMBL1201165
DrugBank DB04575
DrugCentral 2342
EPA CompTox DTXSID6046553
FDA SRS JR0N7XD5GZ
Human Metabolome Database HMDB0015579
Guide to Pharmacology 7097
KEGG C07619
PharmGKB PA164749042
PubChem 9046
SureChEMBL SCHEMBL221134
ZINC ZINC000003875993
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