5-Hydroxy-2,3-dihydronaphthalene-1,4-dione
PubChem CID: 237108
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 6312-53-4, 5-hydroxy-2,3-dihydronaphthalene-1,4-dione, 2,3-Dihydro-5-hydroxy-1,4-naphthoquinone, NSC40351, 1,4-Naphthalenedione, 2,3-dihydro-5-hydroxy-, 5-hydroxy-1,4-napthalenedione, SCHEMBL5793477, DTXSID20979087, NSC-40351 |
|---|---|
| Topological Polar Surface Area | 54.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | VYTBDSUNRJYVHL-UHFFFAOYSA-N |
| Rotatable Bond Count | 0.0 |
| Synonyms | 2,3-Dihydro-5-hydroxy-1,4-naphthoquinone, b-Hydrojuglone |
| Heavy Atom Count | 13.0 |
| Compound Name | 5-Hydroxy-2,3-dihydronaphthalene-1,4-dione |
| Description | Beta-hydrojuglone is a member of the class of compounds known as naphthoquinones. Naphthoquinones are compounds containing a naphthohydroquinone moiety, which consists of a benzene ring linearly fused to a bezene-1,4-dione (quinone). Beta-hydrojuglone is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Beta-hydrojuglone can be found in black walnut, which makes beta-hydrojuglone a potential biomarker for the consumption of this food product. |
| Exact Mass | 176.047 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 176.047 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 247.0 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 176.17 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-2,3-dihydronaphthalene-1,4-dione |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C10H8O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-3,12H,4-5H2 |
| Smiles | C1CC(=O)C2=C(C1=O)C=CC=C2O |
| Xlogp | 1.6 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C10H8O3 |
- 1. Outgoing r'ship
FOUND_INto/from Juglans Nigra (Plant) Rel Props:Source_db:fooddb_chem_all