General
Preferred name
Asarinin
Synonyms
Pseudocubebin ()
Episesamin ()
SESAMIN ()
Eleutheroside B4 ()
(-)-Asarinin ()
Sesamin, Fagarol, Pseudocubebin, Episesamin, Eleutheroside B4 ()
P&D ID
PD088236
CAS
133-04-0
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 (-)-Asarinin is a tetrahydrofurofurano lignan with various biological activities. (-)-Asarinin induces apoptosis in cancer cells. (-)-Asarinin promotes mitochondrial ROS accumulation, inhibits the STAT3 signaling pathway and induces apoptosis in precancerous cells. (-)-Asarinin is a Src family kinase inhibitor that suppresses mast cell activation. (-)-Asarinin is a non-competitive ¦¤5-desaturase inhibitor with a Ki of 0.28 mM. (-)-Asarinin possesses pain relief, anti-viral, anti-allergic and anti-tuberculous bacilli, and anti-tumor effects[1][2][3][4].
PRICE 60
DESCRIPTION (-)-Asarinin (Eleutheroside B4) shows antibacterial activity. (TargetMol Bioactive Compound Library)
Compound Sets
4
Cayman Chemical Bioactives
27456
MedChem Express Bioactive Compound Library
HY-N0701
Selleckchem Bioactive Compound Library
asarinin
TargetMol Bioactive Compound Library
T5S1959
External IDs
17
Properties
(calculated by RDKit )
Molecular Weight
354.11
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
0
Rotatable Bonds
2
Ring Count
6
Aromatic Ring Count
2
cLogP
3.22
TPSA
55.38
Fraction CSP3
0.4
Chiral centers
4.0
Largest ring
6.0
QED
0.83
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Antibacterial
Apoptosis
Bacterial
Reactive Oxygen Species (ROS)
SRC
STAT
Stearoyl-CoA Desaturase (SCD)
Reactive Oxygen Species
Pathway
Microbiology/virology
Anti-infection
Immunology/Inflammation
JAK/STAT Signaling
Metabolic Enzyme/Protease
NF-κB
Protein Tyrosine Kinase/RTK
Stem Cell/Wnt
NF-¦ÊB
Source data