2-Methyl-6-(4-methylphenyl)hept-2-en-4-one
PubChem CID: 558221
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| Compound Synonyms | 38142-58-4, Dl-ar-Turmerone, (+/-)-ar-Turmerone, Aromatic turmerone, (S)-ar-Turmerone, Turmerone, ar-(+/-)-, (+)-ar-Turmerone, Ar-tumerone, (R)-ar-Turmerone, 2-methyl-6-(4-methylphenyl)hept-2-en-4-one, 2-Hepten-4-one, 2-methyl-6-(4-methylphenyl)-, 629S5II29P, 2-Hepten-4-one, 2-methyl-6-(4-methylphenyl)-, (+/-)-, UNII-629S5II29P, MFCD09031381, Turmerone (-ar), ar-(+/-)-turmerone, UNII-DHL4DBU94E, CHEMBL506948, SCHEMBL2942390, CHEBI:190628, AR-TURMERONE (+/-)-FORM, NBA14258, AR-TURMERONE (+/-)-FORM [MI], 2-methyl-6-(p-tolyl)-hept-2-en-4-one, NS00018350, 2-Methyl-6-(4-methylphenyl)-2-hepten-4-one, 2-Methyl-6-(4-methylphenyl)-2-hepten-4-one #, (S)-2-Methyl-6-(4-methylphenyl)-2-hepten-4-one, 2-Methyl-6-(4-methylphenyl)-(S)-2-Hepten-4-one, Q27263468 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Description | Constituent of essential oil from Curcuma longa (turmeric), Curcuma amada (mango-ginger). (R)-ar-Turmerone is found in turmeric and herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 253.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methyl-6-(4-methylphenyl)hept-2-en-4-one |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Xlogp | 4.0 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Sesquiterpenoids |
| Molecular Formula | C15H20O |
| Prediction Swissadme | 0.0 |
| Inchi Key | NAAJVHHFAXWBOK-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | -4.617 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.748 |
| Synonyms | (+)-ar-Turmerone, (S)-ar-Turmerone, 2-Hepten-4-one, 2-methyl-6-(4-methylphenyl)-, (S)-, 2-Methyl-6-(4-methylphenyl)-(S)-2-hepten-4-one, ar-Tumerone, Aromatic turmerone, Turmerone (-ar), Ar-turmerone, (+)-Ar-turmerone, (S)-Ar-turmerone, Ar-tumerone |
| Compound Name | 2-Methyl-6-(4-methylphenyl)hept-2-en-4-one |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 216.151 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 216.151 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 216.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Esol | -3.7021087999999995 |
| Inchi | InChI=1S/C15H20O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5-9,13H,10H2,1-4H3 |
| Smiles | CC1=CC=C(C=C1)C(C)CC(=O)C=C(C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Akebia Quinata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Akebia Trifoliata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Cnidium Monnieri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Curcuma Domestica (Plant) Rel Props:Source_db:fooddb_chem_all - 5. Outgoing r'ship
FOUND_INto/from Curcuma Kwangsiensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Curcuma Phaeocaulis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Curcuma Wenyujin (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Curcuma Zedoaria (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Zanthoxylum Nitidum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all