General Information of the Compound
Compound ID
CP0015787
Compound Name
5,7-dihydroxy-2-phenyl-4H-chromen-4-one
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Synonyms
3CN01F5ZJ5
480-40-0
4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-phenyl-
5,7-Dihydroxy-2-phenyl-4H-1-benzopyran-4-one
5,7-Dihydroxy-2-phenyl-4H-benzo(b)pyran-4-one
5,7-Dihydroxy-2-phenyl-4H-chromen-4-one
5,7-Dihydroxy-2-phenyl-chromen-4-one
5,7-Dihydroxyflavone
5,7-dihydroxy-2-phenylchromen-4-one
BRN 0233276
CAS-480-40-0
CHEBI:75095
CHEMBL117
Chrysin
Chrysin, 99+%
Chrysine
Crysin
EINECS 207-549-7
FLAVONE, 5,7-DIHYDROXY-
MFCD00006834
NSC 407436
NSC-407436
NSC407436
RTIXKCRFFJGDFG-UHFFFAOYSA-N
UNII-3CN01F5ZJ5
chrysin
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Structure
Formula
C15H10O4
Molecular Weight
254.241
Canonical SMILES
Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
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InChI
InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H
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InChIKey
RTIXKCRFFJGDFG-UHFFFAOYSA-N
CAS
480-40-0
Physicochemical Property
logP
2.8712
Rotatable Bonds
1
Heavy Atom Count
19
Polar Areas
70.67
Hydrogen Bond Donor Count
2
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: 5281607
SID: 56310592
ChEMBL ID
CHEMBL117
DrugBank ID
DB15581
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: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK
 Cell Line Info 
Canis lupus familiaris (Dog)  1
1
IC50 = 1500 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000756 MCF/MX
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 2600 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Chrysin )
Drug Name Chrysin
Target(s)
Cyclin-dependent kinase 6 (CDK6)
 Target Info 
Inhibitor
Plasmodium Oxoacyl-[acyl-carrier protein] reductase (Malaria fabG)
 Target Info 
Inhibitor
Aldose reductase (AKR1B1)
 Target Info 
Inhibitor
Aromatase (CYP19A1)
 Target Info 
Inhibitor
Cytochrome P450 1B1 (CYP1B1)
 Target Info 
Inhibitor