General
Preferred name
DESMETHOXYYANGONIN
Synonyms
Desmethoxy yangonin ()
Demethoxyyangonin ()
5,6-Dehydrokavain ()
Dihydrokavain ()
Desmethoxyyangonin (CRM) ()
P&D ID
PD100314
CAS
1952-41-6
15345-89-8
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 Desmethoxyyangonin is one of the six major kavalactones found in the Piper methysticum (kava) plant. Desmethoxyyangonin is a selective inhibitor of monoamine oxidase-B (MAO-B) (IC50: 0.123? ¦ÌM). Desmethoxyyangonin exerts anti-inflammatory effects by inhibiting Jak2/STAT3 and IKK signaling pathways. Desmethoxyyangonin induces CYP3A23 expression and leads to skeletal muscle relaxation[1][2][3][4].
PRICE 130
DESCRIPTION 1. Desmethoxyyangonin (5,6-Dehydrokavain) protects LPS or LPS/D-GalN-induced damages in cell or liver tissues mainly through de-regulating IKK/NF??B and Jak2/STAT3 signaling pathways. 2. The induction of CYP3A23 by dihydromethysticin and Desmethoxy yangonin involves transcription activation, probably through a PXR-independent or PXR-involved indirect mechanism.
DESCRIPTION 1. Desmethoxyyangonin (5,6-Dehydrokavain) protects LPS or LPS/D-GalN-induced damages in cell or liver tissues mainly through de-regulating IKK/NFκB and Jak2/STAT3 signaling pathways. 2. The induction of CYP3A23 by dihydromethysticin and Desmethoxy yangonin involves transcription activation, probably through a PXR-independent or PXR-involved indirect mechanism. (TargetMol Bioactive Compound Library)
Cell lines
0
Organisms
2
Compound Sets
4
Cayman Chemical Bioactives
41214
23814
MedChem Express Bioactive Compound Library
HY-N0918
Selleckchem Bioactive Compound Library
demethoxyyangonin
TargetMol Bioactive Compound Library
T5S0734
External IDs
21
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
Neuroscience
NF-¦ªb
Epigenetics
Immunology/Inflammation
JAK/STAT Signaling
Metabolic Enzyme/Protease
Neuronal Signaling
NF-κB
Protein Tyrosine Kinase/RTK
Stem Cell/Wnt
NF-¦ÊB
Target
Cytochrome P450
IKK
JAK
Monoamine Oxidase
NO Synthase
STAT
MAO
Source data