[12]-Gingerdiol
PubChem CID: 86196540
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| Compound Synonyms | [12]-Gingerdiol |
|---|---|
| Topological Polar Surface Area | 69.9 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 27.0 |
| Description | [12]-gingerdiol is a member of the class of compounds known as gingerdiols. Gingerdiols are compounds containing a gingerdiol moiety, which is structurally characterized by a 4-hydroxy-3-methoxyphenyl group substituted at the C6 carbon atom by an alkane-2,4-diol. [12]-gingerdiol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). [12]-gingerdiol can be found in ginger, which makes [12]-gingerdiol a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 336.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(4-hydroxy-3-methoxyphenyl)hexadecane-3,5-diol |
| Nih Violation | True |
| Class | Phenols |
| Xlogp | 6.2 |
| Superclass | Benzenoids |
| Is Pains | False |
| Subclass | Methoxyphenols |
| Molecular Formula | C23H40O4 |
| Inchi Key | HWCBBIAYOKOIHB-UHFFFAOYSA-N |
| Rotatable Bond Count | 16.0 |
| Synonyms | 12-GINGEDIOL |
| Compound Name | [12]-Gingerdiol |
| Kingdom | Organic compounds |
| Exact Mass | 380.293 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 380.293 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 380.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Inchi | InChI=1S/C23H40O4/c1-3-4-5-6-7-8-9-10-11-12-20(24)18-21(25)15-13-19-14-16-22(26)23(17-19)27-2/h14,16-17,20-21,24-26H,3-13,15,18H2,1-2H3 |
| Smiles | CCCCCCCCCCCC(CC(CCC1=CC(=C(C=C1)O)OC)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Gingerdiols |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:fooddb_chem_all