General
Preferred name
daunorubicinol
Synonyms
P&D ID
PD071958
CAS
28008-55-1
Tags
natural product
drug
available
First approval
1964
Drug Status
approved
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 ]]
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
13
Properties
(calculated by RDKit )
Molecular Weight
529.19
Hydrogen Bond Acceptors
11
Hydrogen Bond Donors
6
Rotatable Bonds
4
Ring Count
5
Aromatic Ring Count
2
cLogP
0.82
TPSA
189.0
Fraction CSP3
0.48
Chiral centers
7.0
Largest ring
6.0
QED
0.26
Structural alerts
1
quinone_A(370)
[!#6&!#1]=[#6]-1-[#6]=,:[#6]-[#6](=[!#6&!#1])-[#6]=,:[#6]-1
PAINS Family A
Related compounds
Custom attributes
(extracted from source data)
Source data
