General
Preferred name
CITROPTEN
Synonyms
Limettin ()
Citroptene ()
Limetin ()
5, 7-Dimethoxycoumarin ()
5,7-Dimethoxycoumarin ()
5,7-Dimethoxycoumarin, Citroptene, Limettin, Limetin ()
P&D ID
PD001622
CAS
487-06-9
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Citropten (5, 7-dimethoxycoumarin) is one of the coumarin derivatives. Citropten is an effective oral anticancer agent. Citropten has anti-proliferative activity against A2058 and B16 melanoma cells. Citropten exerts anti-inflammatory effects through the NF¦ÊB and MAPK signaling pathways. Citropten acts as an antidepressant through heat shock protein-70, monoamine oxidase-A and inhibition of apoptosis[1] [2] [3].
PRICE 29
DESCRIPTION Citropten, a coumarin isolated from bergamot oil, has antiproliferative effects on human melanoma cell line A2058. (TargetMol Bioactive Compound Library)
Compound Sets
7
Cayman Chemical Bioactives
29338
CZ-OPENSCREEN Bioactive Library
EU-OPENSCREEN Bioactive Compound Library
EOS102048
MedChem Express Bioactive Compound Library
HY-N7085
Selleckchem Bioactive Compound Library
citropten
TargetMol Bioactive Compound Library
T2852
The Spectrum Collection
External IDs
27
Properties
(calculated by RDKit )
Molecular Weight
206.06
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
0
Rotatable Bonds
2
Ring Count
2
Aromatic Ring Count
2
cLogP
1.81
TPSA
48.67
Fraction CSP3
0.18
Chiral centers
0.0
Largest ring
6.0
QED
0.7
Structural alerts
2
aggregator (Aggregator Advisor)
Aggregators
aggregator (ZINC)
Aggregators
Custom attributes
(extracted from source data)
Target
ERK
JNK
p38 MAPK
Pathway
MAPK/ERK Pathway
Stem Cell/Wnt
Source data