General
Preferred name
SESAMOL
Synonyms
3,4-(Methylenedioxy)phenol ()
1,3-Benzodioxol-5-ol ()
3,4-Methylenedioxyphenol ()
1,3-Benzodioxol-5-ol, 3,4-Methylenedioxyphenol ()
P&D ID
PD000473
CAS
533-31-3
Tags
natural product
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Compound Sets
5
Cayman Chemical Bioactives
32903
MedChem Express Bioactive Compound Library
HY-N1417
NPC Screening Collection
Selleckchem Bioactive Compound Library
sesamol
TargetMol Bioactive Compound Library
T3676
External IDs
26
Properties
(calculated by RDKit )
Molecular Weight
138.03
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
0
Ring Count
2
Aromatic Ring Count
1
cLogP
1.12
TPSA
38.69
Fraction CSP3
0.14
Chiral centers
0.0
Largest ring
6.0
QED
0.58
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
PI3K/Akt/mTOR signaling
Apoptosis
Target
AMPK
antioxidant
Source data