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Compound Detail

CHEMBL517315

CITRIFOLININ B EPIMER B
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COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C2C1[C@@H]1O[C@@H]1[C@]21O[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL517315
Name CITRIFOLININ B EPIMER B
Phase Preclinical
Structure Type MOL
InChI Key UXNDFLAYYHSFII-HRVAGKKISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

418.4
MW (Da)
-3.68
ALogP
12
HBA
5
HBD
180.2
PSA (Ų)
0.22
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C17H22O12
MW 418.35
Aromatic Rings 0
Heavy Atoms 29
NP-Likeness 2.87

Literature References

PubMed DOI Target Context # Activities
15844957 10.1021/np0495985 NON-PROTEIN TARGET 2
15844957 10.1021/np0495985 Radical scavenging activity 1

Data from ChEMBL 36 via Core Engine