General
Preferred name
CARMINIC ACID
Synonyms
P&D ID
PD013857
CAS
1260-17-9
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
NPC Screening Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
40
Properties
(calculated by RDKit )
Molecular Weight
492.09
Hydrogen Bond Acceptors
12
Hydrogen Bond Donors
9
Rotatable Bonds
3
Ring Count
4
Aromatic Ring Count
2
cLogP
-1.19
TPSA
242.51
Fraction CSP3
0.32
Chiral centers
5.0
Largest ring
6.0
QED
0.15
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
