General
Preferred name
UMBELLIFERONE
Synonyms
skimmetine ()
Hydrangin ()
hydrangine ()
7-Hydroxycoumarin ()
NSC 19790 ()
7-hydroxycoumarin, hydrangine, skimmetine, beta-umbelliferone ()
P&D ID
PD002087
CAS
93-35-6
142044-47-1
Tags
available
covalent binder
drug candidate
Drug indication
Discovery agent
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
PRICE 29
DESCRIPTION Umbelliferone has diverse biological activities including antitumor, antioxidant, and antidepressant-like properties. It inhibits human CA IX and CA XII carbonic anhydrases. Umbelliferone is also a fluorescing compound which can be used as a sunscreen agent. (Enamine Bioactive Compounds)
DESCRIPTION Umbelliferone (7-Hydroxycoumarin) is found in anise. Umbelliferone occurs widely in plants including Angelica species Phytoalexin of infected sweet potat. It has been reported to have antioxidant properties. (TargetMol Bioactive Compound Library)
Cell lines
11
Organisms
0
Compound Sets
9
Cayman Chemical Bioactives
24665
CovBinderInPDB
CBR007454
DrugMAP
DMTMNO7
Enamine Bioactive Compounds
EBC-44283
EU-OPENSCREEN Bioactive Compound Library
EOS100351
Novartis Chemogenetic Library (NIBR MoA Box)
Selleckchem Bioactive Compound Library
umbelliferone
TargetMol Bioactive Compound Library
T1693
The Spectrum Collection
External IDs
36
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
Custom attributes
(extracted from source data)
Target
antioxidant
Apoptosis
Endogenous Metabolite
Immunology & Inflammation related
Member status
virtual
MOA
Carbonic Anhydrase Type IX Inhibitors
Carbonic Anhydrase Type XII Inhibitors
Cyclooxygenase-2 Inhibitors
Antioxidants
Pathway
Metabolism
oxidation-reduction
Source data