Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: U96J5LG435

Structure

InChI Key BCPQOBQIVJZOFL-UHFFFAOYSA-N
Smile COc1ccc(-c2cc(=O)c3c(OC)cc(OCC(=O)O)cc3o2)cc1OC
InChI
InChI=1S/C20H18O8/c1-24-14-5-4-11(6-16(14)25-2)15-9-13(21)20-17(26-3)7-12(8-18(20)28-15)27-10-19(22)23/h4-9H,10H2,1-3H3,(H,22,23)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H18O8
Molecular Weight 386.36
AlogP 2.95
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 104.43
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 28.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Gastritis 3 D005756 ClinicalTrials
Dry Eye Syndromes 2 D015352 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297606
DrugBank DB12058
EPA CompTox DTXSID50174205
FDA SRS U96J5LG435
PubChem 9952125
SureChEMBL SCHEMBL2483541