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Compound Detail

CHEMBL1668110

(7R)-7-HYDROXYTAXIRESINOL
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COc1cc([C@H](O)[C@H]2CO[C@H](c3ccc(O)c(O)c3)[C@H]2CO)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1668110
Name (7R)-7-HYDROXYTAXIRESINOL
Phase Preclinical
Structure Type MOL
InChI Key PMALFGMVFUCPMK-BIPCEHGGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

362.4
MW (Da)
1.84
ALogP
7
HBA
5
HBD
119.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H22O7
MW 362.38
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 1.72

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