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Compound Detail

CHEMBL239028

FORMONETIN
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COc1ccc(-c2coc3cc(O)c(O)cc3c2=O)cc1

Basic Information

ChEMBL ID CHEMBL239028
Name FORMONETIN
Phase Preclinical
Structure Type MOL
InChI Key GCWOYVFHJDNKIN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

284.3
MW (Da)
2.88
ALogP
5
HBA
2
HBD
79.9
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H12O5
MW 284.27
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness 0.71

Literature References

PubMed DOI Target Context # Activities
17869117 10.1016/j.bmc.2007.07.036 Polyunsaturated fatty acid lipoxygenase ALOX15 2
17869117 10.1016/j.bmc.2007.07.036 Polyunsaturated fatty acid lipoxygenase ALOX12 1
17869117 10.1016/j.bmc.2007.07.036 Polyunsaturated fatty acid lipoxygenase ALOX15B 1
12502337 10.1021/np020289t Unchecked 1
12502337 10.1021/np020289t Candida albicans 1
12502337 10.1021/np020289t Cryptococcus neoformans 1
20800321 10.1016/j.ejmech.2010.08.016 Radical scavenging activity 1

Data from ChEMBL 36 via Core Engine