General Information of the Compound
Compound ID
CP0073078
Compound Name
5-hydroxy-2-(3-phenylpropyl)chromen-4-one
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Structure
Formula
C18H16O3
Molecular Weight
280.323
Canonical SMILES
Oc1cccc2oc(CCCc3ccccc3)cc(=O)c12
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InChI
InChI=1S/C18H16O3/c19-15-10-5-11-17-18(15)16(20)12-14(21-17)9-4-8-13-6-2-1-3-7-13/h1-3,5-7,10-12,19H,4,8-9H2
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InChIKey
GELUXQRHKDEPJD-UHFFFAOYSA-N
Physicochemical Property
logP
3.6739
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
50.44
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 76325516
ChEMBL ID
CHEMBL3126299
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 = 251.19 nM
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