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Compound Detail

CHEMBL403353

JEZONOCINOL C
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O=C1C=C2O[C@H](c3ccc(O)c(O)c3)[C@@H](O)[C@@H]3c4c(O)cc(O)cc4[C@H](C23)[C@H](c2ccc(O)c(O)c2)C1

Basic Information

ChEMBL ID CHEMBL403353
Name JEZONOCINOL C
Phase Preclinical
Structure Type MOL
InChI Key LCRLZIMLAUAPJF-IWSVXSTESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

504.5
MW (Da)
3.49
ALogP
9
HBA
7
HBD
167.9
PSA (Ų)
0.26
QED
2
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 C28H24O9
MW 504.49
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness 1.87

Literature References

PubMed DOI Target Context # Activities
17907781 10.1021/np070104o Radical scavenging activity 1
17907781 10.1021/np070104o NON-PROTEIN TARGET 1
19646881 10.1016/j.bmc.2009.07.016 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine