General Information of the Compound
Compound ID
CP0383692
Compound Name
1,8-Dihydroxy-10-methoxy-10H-anthracen-9-one
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Structure
Formula
C15H12O4
Molecular Weight
256.257
Canonical SMILES
COC1c2cccc(O)c2C(=O)c2c(O)cccc12
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InChI
InChI=1S/C15H12O4/c1-19-15-8-4-2-6-10(16)12(8)14(18)13-9(15)5-3-7-11(13)17/h2-7,15-17H,1H3
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InChIKey
NIWZFLUOUFYTRK-UHFFFAOYSA-N
Physicochemical Property
logP
2.378
Rotatable Bonds
1
Heavy Atom Count
19
Polar Areas
66.76
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 44349179
ChEMBL ID
CHEMBL273643
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 > 30000 nM
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   LI
   LO
   TS