General Information of the Compound
Compound ID
CP0401808
Compound Name
5,7-Dihydroxy-2-(4-hydroxy-phenyl)-8-(3-methyl-but-2-enyl)-chromen-4-one
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Synonyms
0DQ85982ZY
4',5,7-Trihydroxy-8-prenylflavone
4,5,7-trihydroxy-8-prenylflavone
4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-
5,7,4'-Trihydroxy-8-prenylflavone
72357-31-4
8-Prenylapigenin
8-prenylapigenin
ACon1_001079
AKOS027326549
BDBM50240972
BRD-K74687851-001-01-8
CHEMBL371562
LMPK12110422
Licoflavone C
MEGxp0_002023
MolPort-001-742-698
NCGC00169697-01
SCHEMBL1231403
UNII-0DQ85982ZY
ZINC21406
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Structure
Formula
C20H18O5
Molecular Weight
338.359
Canonical SMILES
CC(C)=CCc1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1
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InChI
InChI=1S/C20H18O5/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/h3-7,9-10,21-23H,8H2,1-2H3
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InChIKey
MEHHCBRCXIDGKZ-UHFFFAOYSA-N
Physicochemical Property
logP
4.0855
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
90.9
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: 10246505
SID: 15249471
ChEMBL ID
CHEMBL371562
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 = 1290 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT00886, Estrogen receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000211 Ishikawa
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 50 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT00889, Estrogen receptor beta
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000111 MDA-MB-231
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 3.5 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 8-prenylapigenin )
Drug Name 8-prenylapigenin
Target(s)
Phosphodiesterase 5A (PDE5A)
 Target Info 
Inhibitor