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Compound Detail

CHEMBL515984

JABOROSALACTONE 12
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CO[C@]12CC=CC(=O)[C@]1(C)[C@H]1C[C@@]3(O)[C@@]4(C)[C@@H](CC[C@@]4(O)[C@H](C)[C@@H](O)[C@]34OC(=O)C(C)=C4C)[C@@H]1C[C@H]2O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL515984
Name JABOROSALACTONE 12
Phase Preclinical
Structure Type MOL
InChI Key LPBGVQXHMJPFQN-GCXMASHBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

516.6
MW (Da)
1.83
ALogP
8
HBA
4
HBD
133.5
PSA (Ų)
0.39
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C29H40O8
MW 516.63
Aromatic Rings 0
Heavy Atoms 37
NP-Likeness 3.28

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