General Information of the Compound
Compound ID
CP0458623
Compound Name
6-hydroxy-2-oxochromene-3-carboxylic acid
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Structure
Formula
C10H6O5
Molecular Weight
206.153
Canonical SMILES
OC(=O)c1cc2cc(O)ccc2oc1=O
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InChI
InChI=1S/C10H6O5/c11-6-1-2-8-5(3-6)4-7(9(12)13)10(14)15-8/h1-4,11H,(H,12,13)
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InChIKey
SLPOZBYDRWPSBE-UHFFFAOYSA-N
Physicochemical Property
logP
1.1968
Rotatable Bonds
1
Heavy Atom Count
15
Polar Areas
87.74
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
15

"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: 11481147
SID: 16582297
ChEMBL ID
CHEMBL1830820
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: PT00918, Amine oxidase [flavin-containing] A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 40200 nM
   TI
   LI
   LO
   TS