General Information of the Compound
Compound ID
CP0049152
Compound Name
5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
    Show/Hide
Synonyms
2-(4-hydroxyphenyl)-5,6,7-tris(oxidanyl)chromen-4-one
4',5,6,7-Tetrahydroxyflavanone
4',5,6,7-tetrahydroxyflavone
4H-1-Benzopyran-4-one, 5,6,7-trihydroxy-2-(4-hydroxyphenyl)-
5,6,7,4'-Tetrahydroxyflavone
5,6,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
5,6,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one
529-53-3
6-Hydroxyapigenin
AC1NQYX1
CHEBI:9062
JVXZRQGOGOXCEC-UHFFFAOYSA-N
P460GTI853
Q-100602
SCUTELLAREIN
SCUTELLARTLN
Scutellarein
UNII-P460GTI853
    Show/Hide
Structure
Formula
C15H10O6
Molecular Weight
286.239
Canonical SMILES
Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)cc2o1
    Show/Hide
InChI
InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H
    Show/Hide
InChIKey
JVXZRQGOGOXCEC-UHFFFAOYSA-N
CAS
529-53-3
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 5281697
SID: 14775524
ChEMBL ID
CHEMBL55415
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: PT02973, Peroxisome proliferator-activated receptor gamma
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 16400 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( SCUTELLAREIN )
Drug Name SCUTELLAREIN
Target(s)
Xanthine dehydrogenase/oxidase (XDH)
 Target Info 
Inhibitor