General
Preferred name
Rosin
Synonyms
P&D ID
PD127367
CAS
85026-55-7
192776-94-6
118817-23-5
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 ]]
Cell lines
1
Organisms
0
Compound Sets
3
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
15
Properties
(calculated by RDKit )
Molecular Weight
296.13
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
4
Rotatable Bonds
5
Ring Count
2
Aromatic Ring Count
1
cLogP
-0.48
TPSA
99.38
Fraction CSP3
0.47
Chiral centers
5.0
Largest ring
6.0
QED
0.59
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
MAPK
Target
p38
Source data
