General Information of the Compound
Compound ID
CP0114152
Compound Name
2-(4-Methoxy-phenyl)-indan-1,3-dione
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Synonyms
2-(4-Methoxy-phenyl)-indan-1,3-dione
2-(4-Methoxyphenyl)-1H-indene-1,3(2H)-dione
2-(4-Methoxyphenyl)indan-1,3-dione
2-(4-methoxyphenyl)indene-1,3-dione
2-(p-Methoxyphenyl)-1,3-indandione
2-(p-Methoxyphenyl)indane-1,3-dione
2-[4-(methyloxy)phenyl]-1H-indene-1,3(2H)-dione
2-p-Anisyl-1,3-indandione
2-para-Anisyl-1,3-indandione
Anisin indandione
Anisindiona
Anisindiona [INN-Spanish]
Anisindione
Anisindione (INN)
Anisindione [INN:BAN]
Anisindionum
Anisindionum [INN-Latin]
Miradon
Miradon (TN)
SPE 2792
Unidone
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Structure
Formula
C16H12O3
Molecular Weight
252.269
Canonical SMILES
COc1ccc(cc1)C1C(=O)c2ccccc2C1=O
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InChI
InChI=1S/C16H12O3/c1-19-11-8-6-10(7-9-11)14-15(17)12-4-2-3-5-13(12)16(14)18/h2-9,14H,1H3
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InChIKey
XRCFXMGQEVUZFC-UHFFFAOYSA-N
CAS
117-37-3
Physicochemical Property
logP
2.858
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
43.37
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
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: 2197
SID: 15391997
ChEMBL ID
CHEMBL712
DrugBank ID
DB01125
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: PT01743, Polyunsaturated fatty acid 5-lipoxygenase
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000194 RBL-1
 Cell Line Info 
Rattus norvegicus (Rat)  1
1
IC50 = 9100 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Anisindione )
Drug Name Anisindione
Indication
Coagulation defect
Approved
Target(s)
Coagulation factor IIa (F2)
 Target Info 
Modulator