General Information of the Compound
Compound ID
CP0036128
Compound Name
(E)-3-(3,4-Dihydroxy-phenyl)-1-phenyl-propenone
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Structure
Formula
C15H12O3
Molecular Weight
240.258
Canonical SMILES
Oc1ccc(\C=C\C(=O)c2ccccc2)cc1O
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InChI
InChI=1S/C15H12O3/c16-13(12-4-2-1-3-5-12)8-6-11-7-9-14(17)15(18)10-11/h1-10,17-18H/b8-6+
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InChIKey
HHKVOYUYPYZFHJ-SOFGYWHQSA-N
Physicochemical Property
logP
2.9939
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
57.53
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
18

"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: 6474896
SID: 15514694
ChEMBL ID
CHEMBL129510
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 = 43 nM
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