General Information of the Compound
Compound ID
CP0046374
Compound Name
3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
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Synonyms
1-Propanone, 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-
2',4',6'-Trihydroxy-3-(4-Hydroxyphenyl)propiophenone
2',4',6'-Trihydroxy-3-(p-hydroxyphenyl)propiophenone
3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone
3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
60-82-2
CCRIS 7459
Dihydronaringenin
EINECS 200-488-7
NSC 407292
NSC407292
Phloretol
S5J5OE47MK
UNII-S5J5OE47MK
beta-(p-Hydroxyphenyl)-2,4,6-trihydroxypropiophenone
beta-(p-Hydroxyphenyl)phloropropiophenone
phloretin
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Structure
Formula
C15H14O5
Molecular Weight
274.272
Canonical SMILES
Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1
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InChI
InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2
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InChIKey
VGEREEWJJVICBM-UHFFFAOYSA-N
CAS
60-82-2
Physicochemical Property
logP
2.3245
Rotatable Bonds
4
Heavy Atom Count
20
Polar Areas
97.99
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
5
Complexity
20

"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: 4788
SID: 81044353
ChEMBL ID
CHEMBL45068
DrugBank ID
DB07810
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: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 290.9 nM
   TI
   LI
   LO
   TS
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 = 12400 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 = 18300 nM
   TI
   LI
   LO
   TS
Protein ID: PT04657, Solute carrier family 2, facilitated glucose transporter member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000095 NCI-H1299 Homo sapiens (Human)  1
1
IC50 = 21400 nM
   TI
   LI
   LO
   TS
Protein ID: PT06782, Solute carrier family 28 member 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000896 PK15NTD Sus scrofa (Pig)  1
1
Ki = 32280 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( phloretin )
Drug Name phloretin
Target(s)
Solute carrier family 23 member 1 (SLC23A1)
Inhibitor
Chloride channel protein 3 (CLC-3)
Blocker (channel blocker)