General
Preferred name
CASTICIN
Synonyms
Quercetagetin 3,6,7,4'-Tetramethyl Ether ()
Vitexicarpin ()
P&D ID
PD043667
CAS
479-91-4
Tags
natural product
available
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
2
Organisms
0
Compound Sets
4
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
25
Properties
(calculated by RDKit )
Molecular Weight
374.1
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
2
Rotatable Bonds
5
Ring Count
3
Aromatic Ring Count
3
cLogP
2.91
TPSA
107.59
Fraction CSP3
0.21
Chiral centers
0.0
Largest ring
6.0
QED
0.7
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
JAK/STAT Signaling
Stem Cell/Wnt
Target
STAT3
Immunology & Inflammation related
MOA
STAT
Source data
