Compound Detail

CHEMBL2336741

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COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](OC(C)=O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2336741
Phase	Preclinical
Structure Type	MOL
InChI Key	MJJUTRXPHCMPMJ-WARTZDEOSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

958.9

MW (Da)

-4.58

ALogP

HBA

HBD

382.3

PSA (Å²)

0.07

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula	C42H54O25
MW	958.87
Aromatic Rings	3
Heavy Atoms	67
NP-Likeness	1.61

Literature References

PubMed	DOI	Target Context	# Activities
23356964	10.1021/np300609u	Radical scavenging activity	1

Data from ChEMBL 36 via Core Engine