General Information of the Compound
Compound ID
CP0511143
Compound Name
4-Hydroxy-5-methoxy-10H-anthracen-9-one
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Synonyms
4-Hydroxy-5-methoxy-10H-anthracen-9-one
4-hydroxy-5-methoxy-10H-anthracen-9-one
BDBM50060871
CHEMBL123148
ZINC13606502
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Structure
Formula
C15H12O3
Molecular Weight
240.258
Canonical SMILES
COc1cccc2C(=O)c3cccc(O)c3Cc12
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InChI
InChI=1S/C15H12O3/c1-18-14-7-3-5-10-12(14)8-11-9(15(10)17)4-2-6-13(11)16/h2-7,16H,8H2,1H3
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InChIKey
ZLLAABQSJKWBDB-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: 10776422
SID: 15814501
ChEMBL ID
CHEMBL123148
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000831 PMNL Homo sapiens (Human)  1
1
IC50 = 2000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4-Hydroxy-5-methoxy-10H-anthracen-9-one )
Drug Name 4-Hydroxy-5-methoxy-10H-anthracen-9-one
Target(s)
Arachidonate 5-lipoxygenase (5-LOX)
Inhibitor