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Compound Detail

CHEMBL490126

DEOXYSCHISANDRIN
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COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC)C[C@H](C)[C@@H](C)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL490126
Name DEOXYSCHISANDRIN
Phase Preclinical
Structure Type MOL
InChI Key JEJFTTRHGBKKEI-KBPBESRZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

416.5
MW (Da)
4.78
ALogP
6
HBA
0
HBD
55.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C24H32O6
MW 416.51
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 0.80

Literature References

PubMed DOI Target Context # Activities
17190445 10.1021/np060239e Human immunodeficiency virus 1 1
17190445 10.1021/np060239e H9 1

Data from ChEMBL 36 via Core Engine