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Compound Detail

CHEMBL1277661

HINOKIOL
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CC(C)c1cc2c(cc1O)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1277661
Name HINOKIOL
Phase Preclinical
Structure Type MOL
InChI Key ODFCWXVQZAQDSO-CMKODMSKSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

302.5
MW (Da)
4.52
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.80
QED
0
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 C20H30O2
MW 302.46
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 2.54

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
20934345 10.1016/j.bmc.2010.09.035 Replicase polyprotein 1ab 2
33978415 10.1021/acs.jnatprod.0c01180 MCF7 1
33978415 10.1021/acs.jnatprod.0c01180 A549 1
33978415 10.1021/acs.jnatprod.0c01180 SMMC-7721 1
33978415 10.1021/acs.jnatprod.0c01180 SW480 1
33978415 10.1021/acs.jnatprod.0c01180 HL-60 1
33978415 10.1021/acs.jnatprod.0c01180 BEAS-2B 1
37146221 10.1021/acs.jnatprod.2c01136 RAW264.7 1

Data from ChEMBL 36 via Core Engine