General Information of the Compound
Compound ID
CP0026719
Compound Name
3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one
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Synonyms
3,3',4',5,5',7-Hexahydroxyflavone
3,5,7,3',4',5'-Hexahydroxyflavone
3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one
3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one
3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-
529-44-2
76XC01FTOJ
BRN 0332331
CCRIS 5838
CHEMBL164
Cannabiscetin
EINECS 208-463-2
Myricetin
Myricetol
Myricitin
NSC 407290
NSC-407290
NSC407290
UNII-76XC01FTOJ
myricetin
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Structure
Formula
C15H10O8
Molecular Weight
318.237
Canonical SMILES
Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
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InChI
InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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InChIKey
IKMDFBPHZNJCSN-UHFFFAOYSA-N
CAS
529-44-2
Physicochemical Property
logP
1.6936
Rotatable Bonds
1
Heavy Atom Count
23
Polar Areas
151.59
Hydrogen Bond Donor Count
6
Hydrogen Bond Acceptor Count
8
Complexity
23

"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: 5281672
SID: 12015490
ChEMBL ID
CHEMBL164
DrugBank ID
DB02375
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: PT03308, G-protein coupled receptor 35
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000007 HT-29
 Cell Line Info 
Homo sapiens (Human)  2
1
EC50 = 3020 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
IC50 = 2120 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000043 U2OS
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 14700 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT02516, Multidrug resistance-associated protein 1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 2400 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 20000 nM
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001056 MEF-1 [Mouse fibroblast]
 Cell Line Info 
Mus musculus (Mouse)  1
1
Potency = 23280.9 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Myricetin )
Drug Name Myricetin
Target(s)
PI3-kinase gamma (PIK3CG)
 Target Info 
Inhibitor