General Information of the Compound
Compound ID
CP0566804
Compound Name
(E)-1-(2-hydroxy-5-methoxyphenyl)-3-phenylprop-2-en-1-one
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Structure
Formula
C16H14O3
Molecular Weight
254.285
Canonical SMILES
COc1ccc(O)c(c1)C(=O)\C=C\c1ccccc1
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InChI
InChI=1S/C16H14O3/c1-19-13-8-10-16(18)14(11-13)15(17)9-7-12-5-3-2-4-6-12/h2-11,18H,1H3/b9-7+
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InChIKey
IFYSEURGMQKWJS-VQHVLOKHSA-N
Physicochemical Property
logP
3.2969
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
46.53
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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).

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PubChem ID
CID: 12043271
ChEMBL ID
CHEMBL104575
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 = 41000 nM
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