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Compound Detail

CHEMBL1685071

VITEXIN-4'-RHAMNOSIDE
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C[C@@H]1O[C@@H](Oc2ccc(-c3cc(=O)c4c(O)cc(O)c([C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c4o3)cc2)[C@H](O)[C@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1685071
Name VITEXIN-4'-RHAMNOSIDE
Phase Preclinical
Structure Type MOL
InChI Key ZIIBNXKQZAUBRD-VVZHCWMZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

578.5
MW (Da)
-1.41
ALogP
14
HBA
9
HBD
240.0
PSA (Ų)
0.17
QED
3
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C27H30O14
MW 578.52
Aromatic Rings 3
Heavy Atoms 41
NP-Likeness 1.96

Literature References

PubMed DOI Target Context # Activities
21354800 10.1016/j.bmc.2010.12.043 Broad substrate specificity ATP-binding cassette transporter ABCG2 2
21354800 10.1016/j.bmc.2010.12.043 A2780 1
21354800 10.1016/j.bmc.2010.12.043 MCF7 1
21354800 10.1016/j.bmc.2010.12.043 Unchecked 1

Data from ChEMBL 36 via Core Engine