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Compound Detail

CHEMBL1668111

ISOTAXIRESINOL
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COc1cc2c(cc1O)[C@H](c1ccc(O)c(O)c1)[C@@H](CO)[C@H](CO)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1668111
Name ISOTAXIRESINOL
Phase Preclinical
Structure Type MOL
InChI Key GQLVRVYXAHDDLB-PJFSTRORSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
1.72
ALogP
6
HBA
5
HBD
110.4
PSA (Ų)
0.54
QED
0
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 C19H22O6
MW 346.38
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 1.98

Literature References

PubMed DOI Target Context # Activities
21138310 10.1021/np100665j Cytochrome P450 3A4 1
21138310 10.1021/np100665j Cytochrome P450 2D6 1

Data from ChEMBL 36 via Core Engine