General
Preferred name
PECTOLINARIN
Synonyms
7-[[6-O-(6-Deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-5-hydroxy-6-methoxy-1-(4-methoxyphenyl)-4H-1-benzopyran-4-one ()
P&D ID
PD088004
CAS
28978-02-1
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 ]]
Cell lines
7
Organisms
0
Compound Sets
3
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
20
Properties
(calculated by RDKit )
Molecular Weight
622.19
Hydrogen Bond Acceptors
15
Hydrogen Bond Donors
7
Rotatable Bonds
8
Ring Count
5
Aromatic Ring Count
3
cLogP
-0.79
TPSA
227.2
Fraction CSP3
0.48
Chiral centers
10.0
Largest ring
6.0
QED
0.16
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Apoptosis
GPCR/G protein
Immunology/Inflammation
Target
Interleukin Related
Prostaglandin Receptor
Akt,Apoptosis related,Immunology & Inflammation related,Interleukins,PGES,PI3K
Source data
