General
Preferred name
Nictoflorin
Synonyms
Kaempferol-3-O-Rutinoside ()
Nicotifloroside ()
Nicotiflorin ()
Kaempferol-3-rutinoside ()
P&D ID
PD098901
CAS
17650-84-9
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
1
AdooQ Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
12
Properties
(calculated by RDKit )
Molecular Weight
594.16
Hydrogen Bond Acceptors
15
Hydrogen Bond Donors
9
Rotatable Bonds
6
Ring Count
5
Aromatic Ring Count
3
cLogP
-1.39
TPSA
249.2
Fraction CSP3
0.44
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)
Source data
