General
Preferred name
CIRSIMARITIN
Synonyms
Cirsimartin ()
P&D ID
PD100176
CAS
6601-62-3
Tags
drug candidate
natural product
available
Drug indication
Discovery agent
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
0
Organisms
1
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
22
Properties
(calculated by RDKit )
Molecular Weight
314.08
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
2
Rotatable Bonds
3
Ring Count
3
Aromatic Ring Count
3
cLogP
2.89
TPSA
89.13
Fraction CSP3
0.12
Chiral centers
0.0
Largest ring
6.0
QED
0.77
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
