Gingerdione
PubChem CID: 162952
Connections displayed (default: 10).
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| Compound Synonyms | Gingerdione, [6]-Gingerdione, 6-Gingerdione, 61871-71-4, 1-(4-hydroxy-3-methoxyphenyl)decane-3,5-dione, (6)-Gingerdione, 1-(4-Hydroxy-3-methoxyphenyl)-3,5-decanedione, UNII-L2L6JCL6YY, L2L6JCL6YY, 3,5-Decanedione, 1-(4-hydroxy-3-methoxyphenyl)-, CHEBI:10135, DTXSID50210854, 4,7-Dichloro-Benzo(b)thiophen-3(2h)-one, 3,5-Decadione, 1-(4-hydroxy-3-methoxyphenyl), 6-hydrogingerdione, CHEMBL2071439, SCHEMBL13469402, DTXCID80133345, 6-GINGERDIONE: N=6 (CONSTITUENT OF GINGER), Q27108598, 6-GINGERDIONE : N=6 (CONSTITUENT OF GINGER) [DSC], 6-GINGERDIONE: N=6 (CONSTITUENT OF GINGER) [DSC] |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 63.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | CCCCCC=O)CC=O)CCcccccc6)OC)))O |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Phenols |
| Description | Constituent of Zingiber officinale (ginger). [6]-Gingerdione is found in herbs and spices and ginger. |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Methoxyphenols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 327.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(4-hydroxy-3-methoxyphenyl)decane-3,5-dione |
| Prediction Hob | 1.0 |
| Class | Phenols |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.6 |
| Superclass | Benzenoids |
| Subclass | Methoxyphenols |
| Gsk 4 400 Rule | True |
| Molecular Formula | C17H24O4 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KMNVXQHNIWUUSE-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.5294117647058824 |
| Logs | -2.723 |
| Rotatable Bond Count | 10.0 |
| Logd | 2.466 |
| Synonyms | [6]-Gingerdione, 1-(4-Hydroxy-3-methoxyphenyl)-3,5-decanedione, 3,5-Decadione, 1-(4-hydroxy-3-methoxyphenyl), 3,5-Decanedione, 1-(4-hydroxy-3-methoxyphenyl)-, 4,7-Dichloro-benzo(b)thiophen-3(2H)-one, Benzo(b)thiophen-3(2h)-one, 4,7-dichloro-, Gingerdione, 4,7-dichloro-benzo(b)Thiophen-3(2H)-one, 6-Hydrogingerdione, [6]-gingerdione, gingerdione, gingerdione,(6)-, gingerdione,6- |
| Esol Class | Soluble |
| Functional Groups | CC(C)=O, cO, cOC |
| Compound Name | Gingerdione |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 292.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 292.167 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 292.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -3.0185535714285714 |
| Inchi | InChI=1S/C17H24O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,20H,3-7,9,12H2,1-2H3 |
| Smiles | CCCCCC(=O)CC(=O)CCC1=CC(=C(C=C1)O)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Gingerdiones |
- 1. Outgoing r'ship
FOUND_INto/from Aframomum Melegueta (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all