Structure

InChI Key NLORYLAYLIXTID-ISLYRVAYSA-N
Smile CC/C(=C(/CC)c1ccc(OP(=O)(O)O)cc1)c1ccc(OP(=O)(O)O)cc1
InChI
InChI=1S/C18H22O8P2/c1-3-17(13-5-9-15(10-6-13)25-27(19,20)21)18(4-2)14-7-11-16(12-8-14)26-28(22,23)24/h5-12H,3-4H2,1-2H3,(H2,19,20,21)(H2,22,23,24)/b18-17+

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H22O8P2
Molecular Weight 428.31
AlogP 4.36
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 8.0
Polar Surface Area 133.52
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 28.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Estrogen receptor agonist ISBN

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Parent

Cross References

Resources Reference
ChEBI 4532
ChEMBL CHEMBL1200598
DrugCentral 3248
EPA CompTox DTXSID3046906
FDA SRS A0E0NMA80F
KEGG C08145
SureChEMBL SCHEMBL9370
ZINC ZINC000001531012