General Information of the Compound
Compound ID
CP0040158
Compound Name
7,4′-Dihydroxy-isoflavone (3a)
    Show/Hide
Synonyms
,7-Dihydroxyisoflavone
4',7-Dihydroxy-iso-flavone
4',7-Dihydroxyisoflavone
4,7-Dihydroxyisoflavone
486-66-8
4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-
7,4'-Dihydroxyisoflavone
7,4'-dihydroxyisoflavone
7-Hydroxy-3-(4-hydroxyphenyl)-4-benzopyrone
7-Hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one
7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
BRN 0231523
CCRIS 7600
CHEMBL8145
DIADZEIN
Daidzein
Daidzeol
EINECS 207-635-4
K 251b
UNII-6287WC5J2L
d-(+)-alpha-methylbenzylamine
daidzein
    Show/Hide
Structure
Formula
C15H10O4
Molecular Weight
254.241
Canonical SMILES
Oc1ccc(cc1)-c1coc2cc(O)ccc2c1=O
    Show/Hide
InChI
InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H
    Show/Hide
InChIKey
ZQSIJRDFPHDXIC-UHFFFAOYSA-N
CAS
486-66-8
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 5281708
SID: 49684218
ChEMBL ID
CHEMBL8145
DrugBank ID
DB13182
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: PT02311, UDP-glucuronosyltransferase 1A1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 7300 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( daidzein )
Drug Name daidzein
Target(s)
Aldose reductase (AKR1B1)
Inhibitor
Estrogen receptor (ESR)
Inhibitor
Estrogen receptor beta (ESR2)
Inhibitor
Estrogen-related receptor-gamma (ESRRG)
Agonist
Estrogen-related receptor-beta (ESRRB)
Agonist
Estrogen-related receptor-alpha (ESRRA)
Agonist
Short transient receptor potential channel 5 (TRPC5)
Activator