General Information of the Compound
Compound ID
CP0511043
Compound Name
1,2-Dihydroxy-10H-anthracen-9-one
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Synonyms
1,2-Dihydroxy-10H-anthracen-9-one
1,2-Dihydroxy-9-anthron
BDBM50060891
CHEMBL123692
SCHEMBL6418805
ZINC13606491
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Structure
Formula
C14H10O3
Molecular Weight
226.231
Canonical SMILES
Oc1ccc2Cc3ccccc3C(=O)c2c1O
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InChI
InChI=1S/C14H10O3/c15-11-6-5-9-7-8-3-1-2-4-10(8)13(16)12(9)14(11)17/h1-6,15,17H,7H2
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InChIKey
VQTRJTVHFJIZMI-UHFFFAOYSA-N
Physicochemical Property
logP
2.233
Rotatable Bonds
0
Heavy Atom Count
17
Polar Areas
57.53
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
17

"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: 15259267
SID: 85238383
ChEMBL ID
CHEMBL123692
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 = 4000 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000150 HaCaT Homo sapiens (Human)  1
1
IC50 = 1900 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 1,2-Dihydroxy-10H-anthracen-9-one )
Drug Name 1,2-Dihydroxy-10H-anthracen-9-one
Target(s)
Arachidonate 5-lipoxygenase (5-LOX)
Inhibitor