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Compound Detail

CHEMBL573848

PONGACHROMENE
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COc1c(-c2ccc3c(c2)OCO3)oc2c3c(ccc2c1=O)OC(C)(C)C=C3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL573848
Name PONGACHROMENE
Phase Preclinical
Structure Type MOL
InChI Key SVCOJIPWISPOJZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

378.4
MW (Da)
4.38
ALogP
6
HBA
0
HBD
67.1
PSA (Ų)
0.66
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 C22H18O6
MW 378.38
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness 1.68

Literature References

PubMed DOI Target Context # Activities
19515570 10.1016/j.bmc.2009.05.051 Radical scavenging activity 1
19515570 10.1016/j.bmc.2009.05.051 Unchecked 1
25466192 10.1016/j.bmcl.2014.11.015 BV-2 1
25466192 10.1016/j.bmcl.2014.11.015 ADMET 1

Data from ChEMBL 36 via Core Engine