General Information of the Compound
Compound ID
CP0537385
Compound Name
1-Hydroxy-8-methoxy-10H-anthracen-9-one
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Synonyms
1-Hydroxy-8-methoxy-10H-anthracen-9-one
1-Hydroxy-8-methoxyanthrone
138591-01-2
9(10H)-Anthracenone, 1-hydroxy-8-methoxy-
ACMC-20mxto
AKOS030561671
BDBM50060886
CHEMBL125592
CTK0B8005
DTXSID10568303
SCHEMBL12775753
ZINC13366515
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Structure
Formula
C15H12O3
Molecular Weight
240.258
Canonical SMILES
COc1cccc2Cc3cccc(O)c3C(=O)c12
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InChI
InChI=1S/C15H12O3/c1-18-12-7-3-5-10-8-9-4-2-6-11(16)13(9)15(17)14(10)12/h2-7,16H,8H2,1H3
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InChIKey
KXNCIFRRMSGNPW-UHFFFAOYSA-N
Physicochemical Property
logP
2.536
Rotatable Bonds
1
Heavy Atom Count
18
Polar Areas
46.53
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
18

"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: 15107209
ChEMBL ID
CHEMBL125592
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: PT00205, 5-lipoxygenase
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000831 PMNL
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 12000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 1-Hydroxy-8-methoxy-10H-anthracen-9-one )
Drug Name 1-Hydroxy-8-methoxy-10H-anthracen-9-one
Target(s)
Arachidonate 5-lipoxygenase (5-LOX)
 Target Info 
Inhibitor