General Information of the Compound
Compound ID
CP0395929
Compound Name
5-hydroxy-2-(phenylmethoxymethyl)chromen-4-one
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Structure
Formula
C17H14O4
Molecular Weight
282.295
Canonical SMILES
Oc1cccc2oc(COCc3ccccc3)cc(=O)c12
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InChI
InChI=1S/C17H14O4/c18-14-7-4-8-16-17(14)15(19)9-13(21-16)11-20-10-12-5-2-1-3-6-12/h1-9,18H,10-11H2
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InChIKey
DFBUVMKHEPWIOX-UHFFFAOYSA-N
Physicochemical Property
logP
3.2154
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
59.67
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 91826739
ChEMBL ID
CHEMBL3593952
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: PT01019, 5-hydroxytryptamine receptor 2B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 1584.89 nM
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