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Compound Detail

CHEMBL465481

JABOROSALACTONE L
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CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(CO)[C@H]4CC[C@@]32C)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL465481
Name JABOROSALACTONE L
Phase Preclinical
Structure Type MOL
InChI Key MVJLZLDYZPIRMP-FNMGNDPVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

470.6
MW (Da)
3.50
ALogP
6
HBA
2
HBD
96.4
PSA (Ų)
0.48
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 C28H38O6
MW 470.61
Aromatic Rings 0
Heavy Atoms 34
NP-Likeness 3.48

Literature References

PubMed DOI Target Context # Activities
12027740 10.1021/np0106337 Unchecked 2
12027740 10.1021/np0106337 Quinone oxidoreductase 2
12027740 10.1021/np0106337 ADMET 1

Data from ChEMBL 36 via Core Engine