[6]-Gingerdiol
PubChem CID: 5275727
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| Compound Synonyms | [6]-Gingerdiol, 6-Gingediol, 6-Gingerdiol, Compound NP-023034, 1-(4-hydroxy-3-methoxyphenyl)decane-3,5-diol, MEGxp0_001212, SCHEMBL8231013, ACon1_001176, CHEBI:229029, EGA90569, HY-N13073, AKOS040737564, NCGC00169604-01, 1-(4-hydroxy-3-methoxyphenyl)-3,5-decanediol, 1-(4-hydroxy-3-methoxy-phenyl)decane-3,5-diol, 3,5-Decanediol, 1-(4-hydroxy-3-methoxyphenyl)-, BRD-A04398088-001-01-4 |
|---|---|
| Topological Polar Surface Area | 69.9 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 21.0 |
| Description | AC1NQNFM 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. AC1NQNFM is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 259.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(4-hydroxy-3-methoxyphenyl)decane-3,5-diol |
| Prediction Hob | 1.0 |
| Class | Phenols |
| Xlogp | 3.0 |
| Superclass | Benzenoids |
| Subclass | Methoxyphenols |
| Molecular Formula | C17H28O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QYXKQNMJTHPKBP-UHFFFAOYSA-N |
| Fcsp3 | 0.6470588235294118 |
| Rotatable Bond Count | 10.0 |
| Synonyms | [6]-Gingerdiol, 1-(4-Hydroxy-3-methoxyphenyl)-3,5-decanediol, 9CI, 1-Naphthalenemethylamine, N-(2-iodoethyl)-N-ethyl-, 6-Gingediol, N-(2-Iodoethyl)-N-ethylnaphthalene-1-methylamine |
| Compound Name | [6]-Gingerdiol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 296.199 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 296.199 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 296.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Esol | -3.289251971428571 |
| Inchi | InChI=1S/C17H28O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14-15,18-20H,3-7,9,12H2,1-2H3 |
| Smiles | CCCCCC(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:cmaup_ingredients;fooddb_chem_all;npass_chem_all