General
Preferred name
SESAMIN
Synonyms
Sesamin (Fagarol) ()
Fagarol, Fsesamin ()
P&D ID
PD020839
CAS
607-80-7
Tags
natural product
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 Sesamin is a natural product that can be extracted from sesame seeds. It has been reported to have antihypertensive action, that is associated with inhibtion of CYP4F2-catalysed (20-hydroxyeicosatetraenoic acid) production . 20-HETE is a vasoactive and natriuretic eicosanoid. (GtoPdb)
Compound Sets
7
AdooQ Bioactive Compound Library
A10837
Cayman Chemical Bioactives
70310
Concise Guide to Pharmacology 2021/22
11372
Drug Repurposing Hub
Guide to Pharmacology
11372
MedChem Express Bioactive Compound Library
HY-N0121
Selleckchem Bioactive Compound Library
Sesamin(Fagarol)
External IDs
34
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)
MOA
NFkB pathway inhibitor
Source data