Oxyglutinosone
PubChem CID: 157010007
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| Compound Synonyms | Oxyglutinosone |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | WTKMNNYAWXFDHL-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| Synonyms | (+)-Oxyglutinosone, [3R-(3alpha,4beta,4abeta,6alpha)]-4,4a,5,6,7,8-Hexahydro-3,4a-dihydroxy-4-methyl-6-(1-methylethenyl)-2(3H)-naphthalenone, Oxyglutinosone |
| Heavy Atom Count | 17.0 |
| Compound Name | Oxyglutinosone |
| Description | Oxyglutinosone is a member of the class of compounds known as cyclohexenones. Cyclohexenones are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond. Oxyglutinosone is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Oxyglutinosone can be found in potato, which makes oxyglutinosone a potential biomarker for the consumption of this food product. |
| Exact Mass | 236.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 236.141 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 396.0 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 236.31 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,4a-dihydroxy-4-methyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C14H20O3/c1-8(2)10-4-5-11-6-12(15)13(16)9(3)14(11,17)7-10/h6,9-10,13,16-17H,1,4-5,7H2,2-3H3 |
| Smiles | CC1C(C(=O)C=C2C1(CC(CC2)C(=C)C)O)O |
| Xlogp | 1.5 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C14H20O3 |
- 1. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Source_db:fooddb_chem_all