General Information of the Compound
Compound ID
CP0380662
Compound Name
2-Methylbenzo[f]chromen-3-one
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Structure
Formula
C14H10O2
Molecular Weight
210.232
Canonical SMILES
Cc1cc2c(ccc3ccccc23)oc1=O
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InChI
InChI=1S/C14H10O2/c1-9-8-12-11-5-3-2-4-10(11)6-7-13(12)16-14(9)15/h2-8H,1H3
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InChIKey
QKOZRPGRBXTAJS-UHFFFAOYSA-N
Physicochemical Property
logP
3.25462
Rotatable Bonds
0
Heavy Atom Count
16
Polar Areas
30.21
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
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: 12232068
ChEMBL ID
CHEMBL447225
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: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki >= 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT05453, G-protein coupled receptor 55
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS