General Information of the Compound
Compound ID
CP0038281
Compound Name
3-phenyl-1-(2,4,6-trihydroxyphenyl)-1-propanone
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Structure
Formula
C15H14O4
Molecular Weight
258.273
Canonical SMILES
Oc1cc(O)c(C(=O)CCc2ccccc2)c(O)c1
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InChI
InChI=1S/C15H14O4/c16-11-8-13(18)15(14(19)9-11)12(17)7-6-10-4-2-1-3-5-10/h1-5,8-9,16,18-19H,6-7H2
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InChIKey
QWQGMMRHTWIOGH-UHFFFAOYSA-N
Physicochemical Property
logP
2.6189
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
77.76
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
19

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 1226045
SID: 15070191
ChEMBL ID
CHEMBL503375
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03804, Sodium/glucose cotransporter 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 7900 nM
   TI
   LI
   LO
   TS
Protein ID: PT02415, Sodium/glucose cotransporter 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 14700 nM
   TI
   LI
   LO
   TS