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Compound Detail

CHEMBL2397765

(3R)-4'-METHOXY-2',3',7-TRIHYDROXYISOFLAVANONE
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COc1ccc([C@@]2(O)COc3cc(O)ccc3C2=O)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2397765
Name (3R)-4'-METHOXY-2',3',7-TRIHYDROXYISOFLAVANONE
Phase Preclinical
Structure Type MOL
InChI Key KZBMBIHZXUQFOR-INIZCTEOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

302.3
MW (Da)
1.57
ALogP
6
HBA
3
HBD
96.2
PSA (Ų)
0.78
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 C16H14O6
MW 302.28
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 1.64

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
29482940 10.1016/j.bmcl.2018.02.026 BV-2 1

Data from ChEMBL 36 via Core Engine