General
Preferred name
ABIETIC ACID
Synonyms
Sylvic acid ()
Abietate ()
L-Abietic acid ()
Rosin Acid ()
Sylvic acid, Abietate, L-Abietic acid, Rosin Acid ()
P&D ID
PD011897
CAS
10248-55-2
514-10-3
Tags
natural product
drug candidate
available
Drug indication
Discovery agent
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 ]]
Cell lines
1
Organisms
0
Compound Sets
6
Cayman Chemical Bioactives
DrugMAP
NIH Mechanistic Set
Novartis Chemogenetic Library (NIBR MoA Box)
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
29
Properties
(calculated by RDKit )
Molecular Weight
302.22
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
2
Ring Count
3
Aromatic Ring Count
0
cLogP
5.21
TPSA
37.3
Fraction CSP3
0.75
Chiral centers
4.0
Largest ring
6.0
QED
0.76
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolism
Proteases/Proteasome
DNA Damage/DNA Repair
Target
MMP-1
PPAR??
5-Lipoxygenase
PPAR??5-lipoxygenase
Lipoxygenase
Member status
member
MOA
HSD11B1 expression inhibitor
Antibacterial
Antiinflammatory
Source data
