General
Preferred name
ESCULETIN
Synonyms
Cichorigenin ()
Aesculetin ()
Cichorigenin|Aesculetin ()
Cichorigenin, Aesculetin ()
6,7-Dihydroxycoumarin ()
P&D ID
PD001534
CAS
305-01-1
Tags
natural product
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Cell lines
1
Organisms
0
Compound Sets
6
Cayman Chemical Bioactives
19286
Concise Guide to Pharmacology 2021/22
5180
Guide to Pharmacology
5180
MedChem Express Bioactive Compound Library
HY-N0284
Selleckchem Bioactive Compound Library
esculetin
TargetMol Bioactive Compound Library
T2798
External IDs
33
Properties
(calculated by RDKit )
Molecular Weight
178.03
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
0
Ring Count
2
Aromatic Ring Count
2
cLogP
1.2
TPSA
70.67
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.47
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
Metabolism
PI3K/Akt/mTOR
Target
Lipoxygenase
Akt
PI3K
Source data