General
Preferred name
GERANIIN
Synonyms
Geraniiin ()
P&D ID
PD124374
CAS
60976-49-0
Tags
drug candidate
nuisance
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
Compound Sets
3
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
10
Properties
(calculated by RDKit )
Molecular Weight
952.08
Hydrogen Bond Acceptors
27
Hydrogen Bond Donors
14
Rotatable Bonds
2
Ring Count
9
Aromatic Ring Count
4
cLogP
-1.1
TPSA
450.25
Fraction CSP3
0.22
Chiral centers
7.0
Largest ring
12.0
QED
0.05
Structural alerts
1
Saponin/tannin
Detergent-like effects
Nuisance compounds in cellular assays
Related compounds
Custom attributes
(extracted from source data)
Pathway
oxidation-reduction
Apoptosis
Target
antioxidant
TNF-??
MOA
Antioxidant
Source data
