General
Preferred name
MARMESIN
Synonyms
(+)-Marmesin ()
(S)-Marmesin ()
S-(+)-Marmesin ()
S-(+)-Marmesin, (+)-Marmesin, (S)-Marmesin ()
P&D ID
PD078056
CAS
13849-08-6
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 ]]
Compound Sets
4
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
21
Properties
(calculated by RDKit )
Molecular Weight
246.09
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
1
Rotatable Bonds
1
Ring Count
3
Aromatic Ring Count
2
cLogP
1.87
TPSA
59.67
Fraction CSP3
0.36
Chiral centers
1.0
Largest ring
6.0
QED
0.78
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolism
Immunology/Inflammation
Metabolic Enzyme/Protease
Target
5-Lipoxygenase
COX-2
COX
Lipoxygenase
COX,Lipoxygenase
Source data
