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Compound Detail

CHEMBL2012416

PHOYUNBENE A
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COc1cc(O)cc(/C=C/c2ccc(OC)c(O)c2OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2012416
Name PHOYUNBENE A
Phase Preclinical
Structure Type MOL
InChI Key DYWOJJOORBDHBP-SNAWJCMRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

302.3
MW (Da)
3.29
ALogP
5
HBA
2
HBD
68.2
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C17H18O5
MW 302.33
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.96

Literature References

PubMed DOI Target Context # Activities
22326393 10.1016/j.bmcl.2011.12.095 HepG2 1
22326393 10.1016/j.bmcl.2011.12.095 ADMET 1
22326393 10.1016/j.bmcl.2011.12.095 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine