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Compound Detail

CHEMBL229170

ABYSSINOFLAVONE V
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CC1(C)C=Cc2cc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)ccc2O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL229170
Name ABYSSINOFLAVONE V
Phase Preclinical
Structure Type MOL
InChI Key WQCFPYAJTXOZMT-KRWDZBQOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

338.4
MW (Da)
3.99
ALogP
5
HBA
2
HBD
76.0
PSA (Ų)
0.82
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H18O5
MW 338.36
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 2.43

Literature References

PubMed DOI Target Context # Activities
17489632 10.1021/np060477+ Tyrosine-protein phosphatase non-receptor type 1 1

Data from ChEMBL 36 via Core Engine