General Information of the Compound
Compound ID
CP0886027
Compound Name
(2Z,4E)-3-hydroxy-1-(2-hydroxyphenyl)-5-phenylpenta-2,4-dien-1-one
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Formula
C17H14O3
Molecular Weight
266.296
Canonical SMILES
O=C(/C=C(O)/C=C/c1ccccc1)c1ccccc1O
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InChI
InChI=1S/C17H14O3/c18-14(11-10-13-6-2-1-3-7-13)12-17(20)15-8-4-5-9-16(15)19/h1-12,18-19H/b11-10+,14-12-
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InChIKey
NQLCKTLOSJVDJM-SEBJLUHNSA-N
Physicochemical Property
logP
3.7302
Rotatable Bonds
4
Heavy Atom Count
20
Polar Areas
57.53
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
20

"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
SID: 49813181
ChEMBL ID
CHEMBL2332163
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: PT01362, Amine oxidase [flavin-containing] B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 1160 nM
   TI
   LI
   LO
   TS