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Compound Detail

CHEMBL468999

ISOGENTIAKOCHIANOSIDE
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COc1cc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c2c(=O)c3c(O)c(O)ccc3oc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL468999
Name ISOGENTIAKOCHIANOSIDE
Phase Preclinical
Structure Type MOL
InChI Key JABRWMGPPUGKII-IOANSPMESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

568.5
MW (Da)
-1.99
ALogP
15
HBA
8
HBD
238.2
PSA (Ų)
0.12
QED
3
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C25H28O15
MW 568.48
Aromatic Rings 3
Heavy Atoms 40
NP-Likeness 1.93

Literature References

PubMed DOI Target Context # Activities
18406151 10.1016/j.bmc.2008.03.069 C6 1
18406151 10.1016/j.bmc.2008.03.069 U-251 1

Data from ChEMBL 36 via Core Engine