General Information of the Compound
Compound ID
CP0501163
Compound Name
1-Hydroxy-10H-anthracen-9-one
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Synonyms
1-HYDROXY-9,10-DIHYDROANTHRACEN-9-ONE
1-Hydroxy-10H-anthracen-9-one
1-Hydroxy-9-anthrone
1-Hydroxyanthracen-9(10H)-one
1-Hydroxyanthrone
1715-81-7
9(10H)-Anthracenone,1-hydroxy-
9-Anthrone, 1-hydroxy-
9-Anthronol
AC1L45BO
AKOS022650101
BDBM50060879
BRN 3530761
CHEMBL123161
CTK4D3980
DTXSID10169112
LS-20754
MolPort-022-384-226
SCHEMBL1204733
ZINC6117388
hydroxyanthrone
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Structure
Formula
C14H10O2
Molecular Weight
210.232
Canonical SMILES
Oc1cccc2Cc3ccccc3C(=O)c12
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InChI
InChI=1S/C14H10O2/c15-12-7-3-5-10-8-9-4-1-2-6-11(9)14(16)13(10)12/h1-7,15H,8H2
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InChIKey
AXHRXVXCOMMNLG-UHFFFAOYSA-N
CAS
1715-81-7
Physicochemical Property
logP
2.5274
Rotatable Bonds
0
Heavy Atom Count
16
Polar Areas
37.3
Hydrogen Bond Donor Count
1
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: 150937
ChEMBL ID
CHEMBL123161
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 = 13000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 1-Hydroxy-10H-anthracen-9-one )
Drug Name 1-Hydroxy-10H-anthracen-9-one
Target(s)
Arachidonate 5-lipoxygenase (5-LOX)
 Target Info 
Inhibitor