General Information of the Compound
Compound ID
CP0003663
Compound Name
5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one
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Synonyms
4'-Methoxy-5,7-dihydroxyflavone
4'-Methoxyapigenin
480-44-4
5,7-Dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one
5,7-Dihydroxy-4'-methoxyflavone
5,7-Dioxy-4'-methoxyflavone
5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
ACACETIN
ACAETIN
Acacetine
Akatsetin
Apigenin 4'-dimethyl ether
Apigenin 4'-methyl ether
Apisenin 4'-methyl ether
Buddleoflavonol
EINECS 207-552-3
Flavone, 5,7-dihydroxy-4'-methoxy-
KWI7J0A2CC
Linarigenin
Linarisenin
NSC 76061
NSC76061
UNII-KWI7J0A2CC
acacetin
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Structure
Formula
C16H12O5
Molecular Weight
284.267
Canonical SMILES
COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
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InChI
InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3
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InChIKey
DANYIYRPLHHOCZ-UHFFFAOYSA-N
CAS
480-44-4
Physicochemical Property
logP
2.8798
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
79.9
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
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).

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PubChem ID
CID: 5280442
SID: 56310581
ChEMBL ID
CHEMBL243664
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: PT02768, Potassium voltage-gated channel subfamily A member 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 3400 nM
   TI
   LI
   LO
   TS
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 32400 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( ACACETIN )
Drug Name ACACETIN
Target(s)
Arachidonate 5-lipoxygenase (5-LOX)
Inhibitor
Cytochrome P450 1B1 (CYP1B1)
Inhibitor
Xanthine dehydrogenase/oxidase (XDH)
Inhibitor