(2Z,6Z,10E)-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one
PubChem CID: 5372142
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| Compound Synonyms | 2,6,10-Cycloundecatrien-1-one, 2,6,9,9-tetramethyl-, (E,E,E)-, (2Z,6Z,10E)-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one, 2,6,9,9-Tetramethyl-2,6,10-cycloundecatrien-1-one, 471-05-6, 2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one, 2,6,9-Humulatrien-8-one, 2,6,9,9-Tetramethyl-2,6,10-cycloundecatrien-1-one # |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Description | Constituent of the rhizomes of wild ginger (Zingiber zerumbet). Zerumbone is found in herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 354.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2Z,6Z,10E)-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Xlogp | 3.9 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Sesquiterpenoids |
| Molecular Formula | C15H22O |
| Prediction Swissadme | 0.0 |
| Inchi Key | GIHNTRQPEMKFKO-RTTFEGKLSA-N |
| Fcsp3 | 0.5333333333333333 |
| Logs | -4.381 |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Logd | 3.559 |
| Synonyms | (E,E,E)-2,6,9,9-Tetramethyl-2,6,10-cycloundecatrien-1-one, 2,6,9-Humulatrien-8-one, 2,6,9,9-Tetramethyl-2,6,10-cycloundecatrien-1-one, 2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one, Zerumbone, (e,e,e)-2,6,9,9-Tetramethyl-2,6,10-cycloundecatrien-1-one, 2,6,9,9-Tetramethylcycloundeca-2,6,10-trien-1-one |
| Compound Name | (2Z,6Z,10E)-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 218.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 218.167 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 218.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Esol | -3.6759079999999997 |
| Inchi | InChI=1S/C15H22O/c1-12-6-5-7-13(2)14(16)9-11-15(3,4)10-8-12/h7-9,11H,5-6,10H2,1-4H3/b11-9+,12-8-,13-7- |
| Smiles | C/C/1=C/CC(/C=C/C(=O)/C(=C\CC1)/C)(C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 3.0 |
| Taxonomy Direct Parent | Sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients