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Compound Detail

CHEMBL459834

MATAIRESINOSIDE
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COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O

Basic Information

ChEMBL ID CHEMBL459834
Name MATAIRESINOSIDE
Phase Preclinical
Structure Type MOL
InChI Key AAGCATAPYOEULE-LHHMAMHXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

520.5
MW (Da)
0.16
ALogP
11
HBA
5
HBD
164.4
PSA (Ų)
0.29
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C26H32O11
MW 520.53
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness 1.88

Literature References

PubMed DOI Target Context # Activities
11473435 10.1021/np0101189 H9 1
11473435 10.1021/np0101189 Human immunodeficiency virus 1 1
18986199 10.1021/np8004166 RAW264.7 1
24018191 10.1016/j.bmcl.2013.08.065 HEK293 1

Data from ChEMBL 36 via Core Engine