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Compound Detail

CHEMBL512609

IKONNIKOSIDE I
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O=C(O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccccc4O)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL512609
Name IKONNIKOSIDE I
Phase Preclinical
Structure Type MOL
InChI Key ARCCSELFQKSKDR-ZFORQUDYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

462.4
MW (Da)
-0.15
ALogP
11
HBA
7
HBD
207.3
PSA (Ų)
0.25
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H18O12
MW 462.36
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness 1.80

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
12713409 10.1021/np0205102 5-hydroxytryptamine receptor 7 1

Data from ChEMBL 36 via Core Engine