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

CHEMBL1075721

XYLOCCENSIN O
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
COC(=O)[C@H](OC(C)=O)[C@H]1[C@]2(C)C[C@]3(O)[C@H]([C@H]2OC(C)=O)[C@H]2O[C@@]4(C)O[C@@]5(CC[C@@]6(C)[C@H](c7ccoc7)OC(=O)C[C@@]6(O)[C@@]25O4)[C@]13C

Basic Information

ChEMBL ID CHEMBL1075721
Name XYLOCCENSIN O
Phase Preclinical
Structure Type MOL
InChI Key JBDYALFIIPWVAN-COSCWVHUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

660.7
MW (Da)
1.84
ALogP
14
HBA
2
HBD
186.5
PSA (Ų)
0.34
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 C33H40O14
MW 660.67
Aromatic Rings 1
Heavy Atoms 47
NP-Likeness 2.98

Literature References

PubMed DOI Target Context # Activities
19908853 10.1021/np900640u NON-PROTEIN TARGET 2
19908853 10.1021/np900640u SW-620 1
19908853 10.1021/np900640u BT-474 1
19908853 10.1021/np900640u HepG2 1
- 10.1016/j.tet.2005.06.099 Mythimna separata 1

Data from ChEMBL 36 via Core Engine