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Compound Detail

CHEMBL470982

DEMETHOXYEGONOL
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OCCCc1ccc2oc(-c3ccc4c(c3)OCO4)cc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL470982
Name DEMETHOXYEGONOL
Phase Preclinical
Structure Type MOL
InChI Key YQEPMZLWYOAQNI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

296.3
MW (Da)
3.75
ALogP
4
HBA
1
HBD
51.8
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H16O4
MW 296.32
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness 0.50

Literature References

PubMed DOI Target Context # Activities
21939219 10.1021/np200308j Acetylcholinesterase 3
14987072 10.1021/np030372w NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine