Structure

InChI Key CDBRNDSHEYLDJV-FVGYRXGTSA-M
Smiles COc1ccc2cc([C@H](C)C(=O)[O-])ccc2c1.[Na+]
InChI
InChI=1S/C14H14O3.Na/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10;/h3-9H,1-2H3,(H,15,16);/q;+1/p-1/t9-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H13NaO3
Molecular Weight 252.25
AlogP 3.04
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 46.53
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 17.0

Pharmacology

Mechanism of Action Action Reference
Cyclooxygenase inhibitor INHIBITOR PubMed PubMed PubMed PubMed

Target Conservation

Protein: Cyclooxygenase

Description: Prostaglandin G/H synthase 1

Organism : Homo sapiens

P23219 ENSG00000095303
Protein: Cyclooxygenase

Description: Prostaglandin G/H synthase 2

Organism : Homo sapiens

P35354 ENSG00000073756

Cross References

Resources Reference
ChEBI 7477
ChEMBL CHEMBL1200806
FDA SRS 9TN87S3A3C
PubChem 23681059
SureChEMBL SCHEMBL7361