General
Preferred name
DESMETHOXYYANGONIN
Synonyms
5,6-Dehydrokavain ()
Demethoxyyangonin ()
Desmethoxy yangonin ()
5,6-Dehydrokawain ()
5,6-Dehydrokawin ()
P&D ID
PD100314
CAS
15345-89-8
1952-41-6
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
0
Organisms
2
Compound Sets
3
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
20
Properties
(calculated by RDKit )
Molecular Weight
228.08
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
0
Rotatable Bonds
3
Ring Count
2
Aromatic Ring Count
2
cLogP
2.82
TPSA
39.44
Fraction CSP3
0.07
Chiral centers
0.0
Largest ring
6.0
QED
0.81
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
NF-??b
JAK/STAT Signaling
NF-¦ªb
Neuronal Signaling
Target
Monoamine Oxidase
Source data
