Structure

InChI Key LZPBLUATTGKZBH-UHFFFAOYSA-L
Smile CC(C(=O)[O-])c1cccc(Oc2ccccc2)c1.CC(C(=O)[O-])c1cccc(Oc2ccccc2)c1.O.O.[Ca+2]
InChI
InChI=1S/2C15H14O3.Ca.2H2O/c2*1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13;;;/h2*2-11H,1H3,(H,16,17);;2*1H2/q;;+2;;/p-2

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H30CaO8
Molecular Weight 558.64
AlogP 3.67
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 46.53
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 18.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Cyclooxygenase inhibitor PubMed DailyMed

Metabolites

visNetwork

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Gastrointestinal disorders
15.0
Investigations
15.0
General disorders and administration site conditions
10.0
Metabolism and nutrition disorders
10.0
Nervous system disorders
10.0
Psychiatric disorders
10.0
Respiratory, thoracic and mediastinal disorders
10.0
Cardiac disorders
5.0
Immune system disorders
5.0
Infections and infestations
5.0
Renal and urinary disorders
5.0

Cross References

Resources Reference
ChEBI 5005
ChEMBL CHEMBL2103736
EPA CompTox DTXSID6045587
FDA SRS 0X2CW1QABJ
PubChem 64747