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Compound Detail

CHEMBL455619

MULBERROSIDE A
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OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3O)c2)[C@H](O)[C@@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL455619
Name MULBERROSIDE A
Phase Preclinical
Structure Type MOL
InChI Key HPSWAEGGWLOOKT-VUNDNAJOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

568.5
MW (Da)
-2.37
ALogP
14
HBA
10
HBD
239.2
PSA (Ų)
0.15
QED
3
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 C26H32O14
MW 568.53
Aromatic Rings 2
Heavy Atoms 40
NP-Likeness 1.29

Literature References

PubMed DOI Target Context # Activities
3097265 10.1021/np50046a013 Platelet 3
29763564 10.1021/acs.jmedchem.7b00967 Tyrosinase 1

Data from ChEMBL 36 via Core Engine