General Information of the Compound
Compound ID
CP0030681
Compound Name
3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
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Synonyms
3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one
4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphe
5,7,4'-Trihydroxyflavonol
520-18-3
C.I. 75640
CCRIS 41
Campherol
Indigo Yellow
KAEMPFEROL
Kaemferol
Kaempherol
Kampferol
Kampherol
Kempferol
NSC 407289
Nimbecetin
Pelargidenolon
Pelargidenolon 1497
Populnetin
Rhamnolutein
Rhamnolutin
Robigenin
Swartziol
Trifolitin
kaempferol
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Structure
Formula
C15H10O6
Molecular Weight
286.239
Canonical SMILES
Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
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InChI
InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
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InChIKey
IYRMWMYZSQPJKC-UHFFFAOYSA-N
CAS
520-18-3
Physicochemical Property
logP
2.2824
Rotatable Bonds
1
Heavy Atom Count
21
Polar Areas
111.13
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
6
Complexity
21

"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: 5280863
SID: 14751111
ChEMBL ID
CHEMBL150
DrugBank ID
DB01852
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: PT00894, Androgen receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000257 MDA-kb2 Homo sapiens (Human)  1
1
IC50 = 9700 nM
   TI
   LI
   LO
   TS
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
IC50 = 4700 nM
   TI
   LI
   LO
   TS
CL000756 MCF/MX Homo sapiens (Human)  1
1
IC50 = 6200 nM
   TI
   LI
   LO
   TS
Protein ID: PT02516, Multidrug resistance-associated protein 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
Ki = 2400 nM
   TI
   LI
   LO
   TS
Protein ID: PT05074, NADPH oxidase 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1200 nM
   TI
   LI
   LO
   TS
Protein ID: PT00901, Prostaglandin G/H synthase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 100000 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
CL000083 MCF-7 Homo sapiens (Human)  1
1
IC50 = 4000 nM
   TI
   LI
   LO
   TS
Protein ID: PT02513, Steroid hormone receptor ERR1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
IC50 = 9640 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( KAEMPFEROL )
Drug Name KAEMPFEROL
Target(s)
Plasmodium Oxoacyl-[acyl-carrier protein] reductase (Malaria fabG)
Inhibitor
LOX-5 messenger RNA (ALOX5 mRNA)
Inhibitor
Arachidonate 15-lipoxygenase (15-LOX)
Inhibitor
Lactoylglutathione lyase (GLO1)
Inhibitor
Aldose reductase (AKR1B1)
Inhibitor
Estradiol 17 beta-dehydrogenase 1 (17-beta-HSD1)
Inhibitor
Androgen receptor messenger RNA (AR mRNA)
Inhibitor
Influenza Neuraminidase (Influ NA)
Inhibitor
Cytochrome P450 1B1 (CYP1B1)
Inhibitor