General Information of the Compound
Compound ID
CP0508141
Compound Name
7,8-dihydroxy-3-phenylchromen-2-one
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Structure
Formula
C15H10O4
Molecular Weight
254.241
Canonical SMILES
Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1O
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InChI
InChI=1S/C15H10O4/c16-12-7-6-10-8-11(9-4-2-1-3-5-9)15(18)19-14(10)13(12)17/h1-8,16-17H
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InChIKey
MKULWOGXZZEYQF-UHFFFAOYSA-N
Physicochemical Property
logP
2.8712
Rotatable Bonds
1
Heavy Atom Count
19
Polar Areas
70.67
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
19

"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: 10868826
SID: 15913545
ChEMBL ID
CHEMBL3950921
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: PT00840, Adenosine receptor A1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 2400 nM
   TI
   LI
   LO
   TS
Protein ID: PT00862, Adenosine receptor A2a
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 12100 nM
   TI
   LI
   LO
   TS
Protein ID: PT01278, Adenosine receptor A2b
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
IC50 > 30000 nM
   TI
   LI
   LO
   TS
2
Ki > 30000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01279, Adenosine receptor A3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 3850 nM
   TI
   LI
   LO
   TS