General
Preferred name
CITROPTEN
Synonyms
5,7-Dimethoxycoumarin ()
Limettin ()
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()] ]]
Compound Sets
6
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
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)
Pathway
MAPK/ERK Pathway
Stem Cell/Wnt
Target
ERK
JNK
p38 MAPK
Source data