General Information of the Compound
Compound ID
CP0209727
Compound Name
SOPHORAFLAVANONE B
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Synonyms
(-)-(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chroman-4-one
(-)-(2S)-8-dimethylallylnaringenin
(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-4H-chromen-4-one
(S)-8-dimethylallylnaringenin
(s)-8-prenylnaringenin
53846-50-7
5L872SZR8X
8-Prenylnaringenin
8-dimethylallylnaringenin
8-prenylnaringenin (8-PN)
AC1LA3DM
BDBM19460
BIDD:ER0149
CHEBI:50207
CHEMBL376915
CTK5J8800
Flavaprenin
SCHEMBL1171435
SOPHORAFLAVANONE B
Sophoraflavanone B
UNII-5L872SZR8X
YS04
ZINC39452
cid_509245
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Structure
Formula
C20H20O5
Molecular Weight
340.375
Canonical SMILES
CC(C)=CCc1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)cc1
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InChI
InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9,18,21-23H,8,10H2,1-2H3
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InChIKey
LPEPZZAVFJPLNZ-UHFFFAOYSA-N
Physicochemical Property
logP
4.0186
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
86.99
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 509245
SID: 16476136
ChEMBL ID
CHEMBL460647
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: PT01176, cGMP-specific 3',5'-cyclic phosphodiesterase
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7
 Cell Line Info 
Chlorocebus aethiops (Green monkey)  1
1
IC50 = 16230 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( SOPHORAFLAVANONE B )
Drug Name SOPHORAFLAVANONE B
Target(s)
Estrogen receptor (ESR)
 Target Info 
Inhibitor
Estrogen receptor beta (ESR2)
 Target Info 
Inhibitor
Phosphodiesterase 5A (PDE5A)
 Target Info 
Inhibitor