General Information of the Compound
Compound ID
CP0526567
Compound Name
6-hydroxy-3,4-dihydrochromen-2-one
    Show/Hide
Structure
Formula
C9H8O3
Molecular Weight
164.16
Canonical SMILES
Oc1ccc2OC(=O)CCc2c1
    Show/Hide
InChI
InChI=1S/C9H8O3/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h2-3,5,10H,1,4H2
    Show/Hide
InChIKey
ZCNZNVIRVHJXKV-UHFFFAOYSA-N
CAS
2669-94-5
Physicochemical Property
logP
1.2438
Rotatable Bonds
0
Heavy Atom Count
12
Polar Areas
46.53
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
12

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 64809
ChEMBL ID
CHEMBL2426599
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: PT00854, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS