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Compound Detail

CHEMBL1813185

XYLARENONE E
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C=C(CO)[C@@]12O[C@@H]1[C@@]1(C)C(=CC2=O)[C@H](OC(=O)C(O)(CO)CC(C)CC(C)C(C)O)CC[C@@H]1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1813185
Name XYLARENONE E
Phase Preclinical
Structure Type MOL
InChI Key SYBSGEKEVRNWDG-DBCRVZMNSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

480.6
MW (Da)
1.69
ALogP
8
HBA
4
HBD
136.8
PSA (Ų)
0.21
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C26H40O8
MW 480.60
Aromatic Rings 0
Heavy Atoms 34
NP-Likeness 2.98

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
21510613 10.1021/np1005983 Proprotein convertase subtilisin/kexin type 7 5
21510613 10.1021/np1005983 Unchecked 1

Data from ChEMBL 36 via Core Engine