[6]-Gingerdiol 5-acetate
PubChem CID: 101419545
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| Compound Synonyms | [6]-Gingerdiol 5-acetate, (6)-Gingerdiol 5-acetate, (6)-Gingerdiol 5-acetic acid, [6]-Gingerdiol 5-acetic acid, [3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-5-yl] acetate, (3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-5-yl) acetate, CHEBI:175306, 3-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-5-yl acetic acid |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Description | Constituent of ginger (Zingiber officinale) rhizomes. [6]-Gingerdiol 5-acetate is found in herbs and spices and ginger. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 347.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-5-yl] acetate |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | 4.2 |
| Is Pains | False |
| Molecular Formula | C19H30O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SLEAGHNVFZTGGH-UHFFFAOYSA-N |
| Fcsp3 | 0.631578947368421 |
| Rotatable Bond Count | 12.0 |
| Compound Name | [6]-Gingerdiol 5-acetate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 338.209 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 338.209 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 338.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9647528000000007 |
| Inchi | InChI=1S/C19H30O5/c1-4-5-6-7-17(24-14(2)20)13-16(21)10-8-15-9-11-18(22)19(12-15)23-3/h9,11-12,16-17,21-22H,4-8,10,13H2,1-3H3 |
| Smiles | CCCCCC(CC(CCC1=CC(=C(C=C1)O)OC)O)OC(=O)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all