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Compound Detail

CHEMBL1765650

ROSMARINIC ACID METHYL ESTER
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COC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)C=Cc1ccc(O)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1765650
Name ROSMARINIC ACID METHYL ESTER
Phase Preclinical
Structure Type MOL
InChI Key XHALVRQBZGZHFE-QGZVFWFLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

374.4
MW (Da)
1.85
ALogP
8
HBA
4
HBD
133.5
PSA (Ų)
0.34
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H18O8
MW 374.35
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 1.05

Literature References

PubMed DOI Target Context # Activities
21388814 10.1016/j.bmc.2011.02.013 Mus musculus 1

Data from ChEMBL 36 via Core Engine