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Compound Detail

CHEMBL606147

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COc1ccc(/C=C/C(=O)OC[C@H]2O[C@@H](O[C@H]3OC=C[C@H]4[C@@H]3[C@](C)(O)C[C@@H]4O)[C@H](O)[C@@H](O)[C@@H]2O)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL606147
Phase Preclinical
Structure Type MOL
InChI Key DPTCISVVKXAAHY-NXOJDJGZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

538.5
MW (Da)
-0.30
ALogP
12
HBA
5
HBD
173.6
PSA (Ų)
0.22
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C26H34O12
MW 538.55
Aromatic Rings 1
Heavy Atoms 38
NP-Likeness 2.15

Literature References

PubMed DOI Target Context # Activities
19674906 10.1016/j.bmc.2009.07.065 Radical scavenging activity 2

Data from ChEMBL 36 via Core Engine