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Compound Detail

CHEMBL233062

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COc1cc(OC)c2c(c1)OC(c1ccc(OC)c(OC)c1)C(O)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL233062
Phase Preclinical
Structure Type MOL
InChI Key GKPNPQODFXMCGO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
17
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
2.76
ALogP
6
HBA
1
HBD
66.4
PSA (Ų)
0.90
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 C19H22O6
MW 346.38
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 1.33

Literature References

PubMed DOI Target Context # Activities
14995101 10.1021/jf040453d Centaurea maculosa 2
14995101 10.1021/jf040453d Pectobacterium carotovorum 2
14995101 10.1021/jf040453d Erwinia amylovora 2
14995101 10.1021/jf040453d Pseudomonas fluorescens 2
14995101 10.1021/jf040453d Xanthomonas campestris 2
14995101 10.1021/jf040453d Arabidopsis thaliana 1
17239594 10.1016/j.bmcl.2006.12.085 MRC5 1
14995101 10.1021/jf040453d Solanum lycopersicum 1
14995101 10.1021/jf040453d Gaillardia aristata 1
14995101 10.1021/jf040453d Ocimum basilicum 1
14995101 10.1021/jf040453d Trichoderma reesei 1
14995101 10.1021/jf040453d Trichoderma viride 1
14995101 10.1021/jf040453d Fusarium oxysporum 1
14995101 10.1021/jf040453d Aspergillus niger 1
14995101 10.1021/jf040453d Penicillium sp. 1
17239594 10.1016/j.bmcl.2006.12.085 Unchecked 1
17239594 10.1016/j.bmcl.2006.12.085 Human betaherpesvirus 5 1

Data from ChEMBL 36 via Core Engine