General
Preferred name
Iristectorigenin A
Synonyms
P&D ID
PD127321
CAS
39012-01-6
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
2
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
11
Properties
(calculated by RDKit )
Molecular Weight
330.07
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
3
Rotatable Bonds
3
Ring Count
3
Aromatic Ring Count
3
cLogP
2.59
TPSA
109.36
Fraction CSP3
0.12
Chiral centers
0.0
Largest ring
6.0
QED
0.68
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
