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Compound Detail

CHEMBL480657

HISPIDULOSIDE
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COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL480657
Name HISPIDULOSIDE
Phase Preclinical
Structure Type MOL
InChI Key GCLAFEGUXXHIFT-IWLDQSELSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

462.4
MW (Da)
0.06
ALogP
11
HBA
6
HBD
179.3
PSA (Ų)
0.30
QED
2
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 C22H22O11
MW 462.41
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness 1.96

Literature References

PubMed DOI Target Context # Activities
15787436 10.1021/np040175c MCF7 2
15787436 10.1021/np040175c T47D 2
24955889 10.1021/np500150f Peroxisome proliferator-activated receptor gamma 2
10650074 10.1021/np990271r Radical scavenging activity 1
10650074 10.1021/np990271r HL-60 1

Data from ChEMBL 36 via Core Engine