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Compound Detail

CHEMBL2139332

(-)-JASMONIC ACID
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CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2139332
Name (-)-JASMONIC ACID
Phase Preclinical
Structure Type MOL
InChI Key GEWDNTWNSAZUDX-WQMVXFAESA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

224.3
MW (Da)
2.50
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C13H20O3
MW 224.30
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness 1.95

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.1271/bbb1961.55.3097 Pyricularia oryzae 5
35984330 10.1021/acs.jmedchem.2c00411 Unchecked 3
27393062 10.1271/bbb.63.361 Lepidium sativum 1
27393062 10.1271/bbb.63.361 Oryza sativa 1
30836001 10.1021/acs.jmedchem.9b00090 Aldo-keto reductase family 1 member C3 1

Data from ChEMBL 36 via Core Engine