General
Preferred name
NPLC0542
Synonyms
ROSMARINIC ACID ()
(E/Z)-ROSMARINIC ACID ()
P&D ID
PD145118
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
0
Organisms
1
Compound Sets
1
IPPI - DB
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
7
Properties
(calculated by RDKit )
Molecular Weight
360.08
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
5
Rotatable Bonds
6
Ring Count
2
Aromatic Ring Count
2
cLogP
1.76
TPSA
144.52
Fraction CSP3
0.11
Chiral centers
1.0
Largest ring
6.0
QED
0.3
Structural alerts
2
aggregator (Aggregator Advisor)
Aggregators
aggregator (ZINC)
Aggregators
Related compounds
Custom attributes
(extracted from source data)
Source data
