General
Preferred name
ROSMARINIC ACID
Synonyms
Labiatenic acid ()
Rosemary acid ()
P&D ID
PD020694
CAS
20283-92-5
537-15-5
Tags
drug candidate
natural product
available
Drug indication
Rheumatoid arthritis
Drug Status
investigational
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
Anti-inflammatory, cytostatic and anti-viral
(Tocriscreen Total)
DESCRIPTION
Rosmarinic acid is a naturally occurring hydroxylated compound occured in many plants. Rosmarinic acid exhibits agonist activity at GPR35 and shows antiviral, antibacterial, antiinflammatory and antioxidant activity. It is a good unctional cosmetic material. Rosmarinic acid inhibits MAO-A, MAO-B and COMT enzymes with IC50s of 50.1, 184.6 and 26.7 μM, respectively.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
5
Organisms
1
Compound Sets
11
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
Drug Repurposing Hub
DrugBank
DrugMAP
MedChem Express Bioactive Compound Library
Novartis Chemogenetic Library (NIBR MoA Box)
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
Tocriscreen Total
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
37
Molecular Weight
360.08
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
5
Rotatable Bonds
6
Ring Count
2
Aromatic Ring Count
2
cLogP
1.76
TPSA
144.52
Fraction CSP3
0.11
Chiral centers
1.0
Largest ring
6.0
QED
0.3
Structural alerts
2
aggregator (Aggregator Advisor)
Aggregators
aggregator (ZINC)
Aggregators
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolism
Neuroscience
NF-??b
Apoptosis
Metabolic Enzyme/Protease
Neuronal Signaling
Target
MAO-A
MAO-B
COMT
IKK ??
MCL1, TYR
Endogenous Metabolite
Monoamine Oxidase
Complement System,I¦ÊB/IKK
Member status
member
MOA
"Angiogenesis Inhibitors
Antioxidants
4-aminobutyrate transaminase inhibitor"
Angiogenesis Inhibitors
4-aminobutyrate transaminase inhibitor
GABA transaminase inhibitor
Solubility
Soluble in DMSO (≥32 mg/mL)
Source data
