Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL2208389

CAESALPINIAPHENOL A
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
COc1cc(C[C@@]2(O)COc3cc(O)ccc3C2=O)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2208389
Name CAESALPINIAPHENOL A
Phase Preclinical
Structure Type MOL
InChI Key IZXFOZCITJGROS-QGZVFWFLSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

316.3
MW (Da)
1.66
ALogP
6
HBA
3
HBD
96.2
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C17H16O6
MW 316.31
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 1.70

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
23234407 10.1021/np3003673 RAW264.7 4
23234407 10.1021/np3003673 No relevant target 1

Data from ChEMBL 36 via Core Engine