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Chemical structure of Coumberone

GC62301

Coumberone

Also known as 6-benzoyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one

Coumberone is a metabolic fluorogenic probe, and isoform-selective substrate for all AKR1C isoforms· Coumberone can be reduced by all four members of the AKR1C family to its fluorescent alcohol coumberol· Coumberone can be used for the research of AKR1C

ChemicalCAS878019-47-7MW345.39FormulaC22H19NO3
CAS number
878019-47-7
Molecular weight
345.39
Formula
C22H19NO3
InChIKey
DGJJSADMDWUKOJ-UHFFFAOYSA-N
Catalogue number
GC62301
Brand
GLPBIO
Computed properties PubChem CID 11588246 · XLogP 3.9 · TPSA 46.6 Ų · H-bond donors 0
XLogP
3.9
TPSA
46.6 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
26

SMILES C1CC2=CC3=C(C4=C2N(C1)CCC4)OC(=O)C=C3C(=O)C5=CC=CC=C5

Computed descriptors from PubChem (CID 11588246), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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