General Information of the Compound
| Compound ID |
CP0325243
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5,8-Dihydroxy-[1,4]naphthoquinone
Show/Hide
|
||||||||||||||||||
| Synonyms |
1,4-NAPHTHOQUINONE, 5,8-DIHYDROXY-
475-38-7
5,8-Dihydroxy-1,4-naphthalenedione
5,8-Dihydroxy-1,4-naphthoquinone
5,8-Dihydroxy-1,4-naphthosemiquinone
5,8-Dihydroxy-[1,4]naphthoquinone
5,8-Dihydroxynaphthalene-1,4(4aH,8aH)-dione
5,8-Dihydroxynaphthoquinone
5,8-dihydroxynaphthalene-1,4-dione
CCRIS 6670
CHEBI:28849
CHEMBL274056
Dihydroxynaphthoquinone
EINECS 207-495-4
NAPHTHAZALIN
NSC 26647
NSC26647
NSC344555
Naphthazarin
Naphthazarine
Naphthazarone
S9IX5I5C0K
UNII-S9IX5I5C0K
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C10H6O4
|
||||||||||||||||||
| Molecular Weight |
190.154
|
||||||||||||||||||
| Canonical SMILES |
Oc1ccc(O)c2C(=O)C=CC(=O)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C10H6O4/c11-5-1-2-6(12)10-8(14)4-3-7(13)9(5)10/h1-4,11-12H
Show/Hide
|
||||||||||||||||||
| InChIKey |
RQNVIKXOOKXAJQ-UHFFFAOYSA-N
|
||||||||||||||||||
| CAS |
475-38-7
|
||||||||||||||||||
| Physicochemical Property |
"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). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
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 ID: PT02204, Cytochrome P450 1A1
Protein ID: PT01002, Cytochrome P450 1A2
Protein ID: PT02205, Cytochrome P450 1B1
Protein ID: PT01049, Cytochrome P450 2C19
Protein ID: PT00905, Cytochrome P450 2C9
Protein ID: PT00817, Cytochrome P450 2D6
Protein ID: PT00986, Cytochrome P450 3A4
Protein ID: PT06969, Dual specificity protein phosphatase 1
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000072 | A2780 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 80 nM
|
TI
LI
LO
TS
|
|
|---|---|---|---|
Clinical Information about the Compound