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Compound Detail

CHEMBL447820

CHRYSOERIOL-7-O-NEOHESPERIDOSIDE
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COc1cc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc3o2)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL447820
Name CHRYSOERIOL-7-O-NEOHESPERIDOSIDE
Phase Preclinical
Structure Type MOL
InChI Key LGOQXEQWOCSLEC-CYZBKYQRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

608.5
MW (Da)
-1.09
ALogP
15
HBA
8
HBD
238.2
PSA (Ų)
0.16
QED
3
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C28H32O15
MW 608.55
Aromatic Rings 3
Heavy Atoms 43
NP-Likeness 2.01

Literature References

PubMed DOI Target Context # Activities
7775983 10.1021/np50117a005 Unchecked 2
9214739 10.1021/np970025k Adenosine receptor A1 1
9461655 10.1021/np970237h Xanthine dehydrogenase/oxidase 1
9461655 10.1021/np970237h NON-PROTEIN TARGET 1
- 10.1007/s00044-011-9767-1 Entamoeba histolytica 1

Data from ChEMBL 36 via Core Engine