General
Preferred name
ROBINETIN
Synonyms
3,3',4',5',7-Pentahydroxyflavone ()
NSC-407331 ()
P&D ID
PD158065
CAS
490-31-3
Tags
natural product
drug candidate
available
Drug indication
Discovery agent
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Cell lines
2
Organisms
1
Compound Sets
4
Cayman Chemical Bioactives
35272
DrugMAP
DMASOWP
MedChem Express Bioactive Compound Library
HY-N1347
Selleckchem Bioactive Compound Library
robinetin
External IDs
23
Properties
(calculated by RDKit )
Molecular Weight
302.04
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
5
Rotatable Bonds
1
Ring Count
3
Aromatic Ring Count
3
cLogP
1.99
TPSA
131.36
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.43
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
Anti-infection
Metabolic Enzyme/Protease
Target
Bacterial
Fungal
HIV Integrase
DNA/RNA Synthesis,Integrase
Source data