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Compound Detail

CHEMBL2397767

(3R)-3'-O-METHYLVIOLANONE
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COc1ccc([C@@H]2COc3cc(O)ccc3C2=O)c(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2397767
Name (3R)-3'-O-METHYLVIOLANONE
Phase Preclinical
Structure Type MOL
InChI Key IFIRIIBDWLSFFH-ZDUSSCGKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

330.3
MW (Da)
2.78
ALogP
6
HBA
1
HBD
74.2
PSA (Ų)
0.93
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 C18H18O6
MW 330.34
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 1.25

Literature References

PubMed DOI Target Context # Activities
23743282 10.1016/j.bmcl.2013.04.032 ADMET 1
23743282 10.1016/j.bmcl.2013.04.032 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine