Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL1223743

7-O-METHYLCRYPTOCHINONE B
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CO[C@H]1CC2=C(C(=O)C[C@@H](c3ccccc3)O2)[C@@H]2CC(=O)O[C@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1223743
Name 7-O-METHYLCRYPTOCHINONE B
Phase Preclinical
Structure Type MOL
InChI Key CEQRNWQUBHZVDF-QCRGFSPQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

314.3
MW (Da)
2.32
ALogP
5
HBA
0
HBD
61.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H18O5
MW 314.34
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 1.83

Literature References

PubMed DOI Target Context # Activities
25127166 10.1016/j.bmcl.2014.07.045 Bile acid receptor 14
20704331 10.1021/np100014j MCF7 1
20704331 10.1021/np100014j NCI-H460 1
20704331 10.1021/np100014j SF-268 1
25127166 10.1016/j.bmcl.2014.07.045 HepG2 1
25127166 10.1016/j.bmcl.2014.07.045 Peroxisome proliferator-activated receptor gamma 1

Data from ChEMBL 36 via Core Engine