General Information of the Compound
Compound ID
CP0160177
Compound Name
3-hydroxybenzo[c]chromen-6-one
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Structure
Formula
C13H8O3
Molecular Weight
212.204
Canonical SMILES
Oc1ccc2c(c1)oc(=O)c1ccccc21
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InChI
InChI=1S/C13H8O3/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)16-12(10)7-8/h1-7,14H
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InChIKey
WXUQMTRHPNOXBV-UHFFFAOYSA-N
CAS
1139-83-9
Physicochemical Property
logP
2.6518
Rotatable Bonds
0
Heavy Atom Count
16
Polar Areas
50.44
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
16

"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: 5380406
SID: 14822476
ChEMBL ID
CHEMBL1526978
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: PT04812, Polypeptide N-acetylgalactosaminyltransferase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 > 100000 nM
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   LI
   LO
   TS