General
Preferred name
UMBELLIFERONE
Synonyms
Hydrangin ()
hydrangine ()
NSC 19790 ()
skimmetine ()
7-Hydroxycoumarin ()
7-hydroxycoumarin, hydrangine, skimmetine, beta-umbelliferone ()
NSC-019790 ()
P&D ID
PD002087
CAS
93-35-6
142044-47-1
Tags
covalent binder
drug candidate
natural product
available
Drug indication
Discovery agent
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()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
9
Organisms
0
Compound Sets
9
Cayman Chemical Bioactives
CovBinderInPDB
DrugMAP
EU-OPENSCREEN Bioactive Compound Library
MedChem Express Bioactive Compound Library
Novartis Chemogenetic Library (NIBR MoA Box)
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
34
Properties
(calculated by RDKit )
Molecular Weight
162.03
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
0
Ring Count
2
Aromatic Ring Count
2
cLogP
1.5
TPSA
50.44
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.6
Structural alerts
2
aggregator (Aggregator Advisor)
Aggregators
aggregator (ZINC)
Aggregators
Related compounds
Custom attributes
(extracted from source data)
Pathway
oxidation-reduction
Apoptosis
Metabolic Enzyme/Protease
Target
antioxidant
Endogenous Metabolite
Immunology & Inflammation related
Member status
virtual
MOA
Carbonic Anhydrase Type IX Inhibitors
Carbonic Anhydrase Type XII Inhibitors
Cyclooxygenase-2 Inhibitors
Antioxidants
Source data
