General
Preferred name
JASMONIC ACID
Synonyms
(±)-Jasmonic Acid ()
(±)7-epi Jasmonic Acid ()
(±)-Jasmonic Acid-d5 ()
P&D ID
PD050046
CAS
6894-38-8
77026-92-7
62653-85-4
2750534-78-0
Tags
available
natural product
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
64
Properties
(calculated by RDKit )
Molecular Weight
210.13
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
5
Ring Count
1
Aromatic Ring Count
0
cLogP
2.41
TPSA
54.37
Fraction CSP3
0.67
Chiral centers
2.0
Largest ring
5.0
QED
0.71
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
