2-Hepten-4-one, 2-methyl-6-(4-methyl-3-cyclohexen-1-ylidene)-, (6Z)-
PubChem CID: 91698329
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| Compound Synonyms | gamma-Atlantone, (Z)-.gamma.-Atlantone, QEAHSEZXAQIWSW-BUHFOSPRSA-N, 2-Hepten-4-one, 2-methyl-6-(4-methyl-3-cyclohexen-1-ylidene)-, (6Z)-, (Z)-2-Methyl-6-(4-methylcyclohex-3-en-1-ylidene)hept-2-en-4-one, 2-Hepten-4-one, 2-methyl-6-(4-methyl-3-cyclohexen-1-ylidene)-, (Z)- |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Description | Gamma-atlantone, also known as γ-atlantone, is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Gamma-atlantone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Gamma-atlantone can be found in turmeric, which makes gamma-atlantone a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 363.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (6Z)-2-methyl-6-(4-methylcyclohex-3-en-1-ylidene)hept-2-en-4-one |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Xlogp | 3.5 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Sesquiterpenoids |
| Molecular Formula | C15H22O |
| Prediction Swissadme | 0.0 |
| Inchi Key | QEAHSEZXAQIWSW-BUHFOSPRSA-N |
| Fcsp3 | 0.5333333333333333 |
| Logs | -4.563 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.548 |
| Synonyms | gamma-(E)-Atlantone, (Z)-g-Atlantone, (Z)-Γ-atlantone, g-Atlantone, Γ-atlantone |
| Compound Name | 2-Hepten-4-one, 2-methyl-6-(4-methyl-3-cyclohexen-1-ylidene)-, (6Z)- |
| 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 | 1.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Esol | -4.252807999999999 |
| Inchi | InChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,9H,6-8,10H2,1-4H3/b14-13+ |
| Smiles | CC1=CC/C(=C(/C)\CC(=O)C=C(C)C)/CC1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all