General
Preferred name
Citreorosein
Synonyms
ω-Hydroxyemodin ()
NSC 624612 ()
ω-Hydroxyemodin ()
P&D ID
PD131859
CAS
481-73-2
Tags
available
natural product
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION ω-Hydroxyemodin is a polyhydroxyanthraquinone isolated from Penicillium restrictum. It has been investigated as an alternative or adjunctive to conventional antibacterials in the treatment of antibacterial-resistant infections, including invasive skin and soft tissue infections (SSTIs) caused by Staphylococcus aureus . (GtoPdb)
Compound Sets
3
Cayman Chemical Bioactives
43199
Guide to Pharmacology
11005
MedChem Express Bioactive Compound Library
HY-N3592
External IDs
23
Properties
(calculated by RDKit )
Molecular Weight
286.05
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
4
Rotatable Bonds
1
Ring Count
3
Aromatic Ring Count
2
cLogP
1.07
TPSA
115.06
Fraction CSP3
0.07
Chiral centers
0.0
Largest ring
6.0
QED
0.53
Structural alerts
1
quinone_A(370)
[!#6&!#1]=[#6]1[#6]=,:[#6][#6](=[!#6&!#1])[#6]=,:[#6]1
PAINS Family A
Custom attributes
(extracted from source data)
Source data