General
Preferred name
JASMONE
Synonyms
cis-?Jasmone ()
CIS-JASMONE ()
P&D ID
PD001180
CAS
488-10-8
Tags
natural product
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Compound Sets
4
MedChem Express Bioactive Compound Library
HY-N7058
Selleckchem Bioactive Compound Library
jasmone
TargetMol Bioactive Compound Library
T8076
The Spectrum Collection
External IDs
20
Properties
(calculated by RDKit )
Molecular Weight
164.12
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
0
Rotatable Bonds
3
Ring Count
1
Aromatic Ring Count
0
cLogP
3.02
TPSA
17.07
Fraction CSP3
0.55
Chiral centers
0.0
Largest ring
5.0
QED
0.59
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data