General Information of the Compound
Compound ID
CP0482435
Compound Name
(E)-1-(5-butoxy-2-hydroxyphenyl)-3-phenylprop-2-en-1-one
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Structure
Formula
C19H20O3
Molecular Weight
296.366
Canonical SMILES
CCCCOc1ccc(O)c(c1)C(=O)\C=C\c1ccccc1
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InChI
InChI=1S/C19H20O3/c1-2-3-13-22-16-10-12-19(21)17(14-16)18(20)11-9-15-7-5-4-6-8-15/h4-12,14,21H,2-3,13H2,1H3/b11-9+
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InChIKey
VWMGIERHFMBIEP-PKNBQFBNSA-N
Physicochemical Property
logP
4.4672
Rotatable Bonds
7
Heavy Atom Count
22
Polar Areas
46.53
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 73349274
ChEMBL ID
CHEMBL2429962
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: PT01743, Polyunsaturated fatty acid 5-lipoxygenase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000194 RBL-1 Rattus norvegicus (Rat)  1
1
IC50 = 1000 nM
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