Lepalone
PubChem CID: 535169
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| Compound Synonyms | Lepalone, GP5UV7362H, 1-Penten-3-one, 5-(3-furanyl)-2-methyl-, 80445-58-5, 5-(furan-3-yl)-2-methylpent-1-en-3-one, 5-(3-Furanyl)-2-methyl-1-penten-3-one, 5-(Furan-3-yl)-2-methyl-pent-1-en-3-one, UNII-GP5UV7362H, DTXSID70336646, 5-(3-Furyl)-2-methyl-1-penten-3-one, E-2-Methyl-5-(furan-3-yl)-pent-1-en-3-one, SCHEMBL13388144, DTXCID60287734, CHEBI:180398, XUCQQLCBOJJVRF-UHFFFAOYSA-N, 5-(uran-3-yl)-2-methylpent-1-en-3-one, 5-(3-Furyl)-2-methyl-1-penten-3-one # |
|---|---|
| Topological Polar Surface Area | 30.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Description | Constituent of Roman camomile oil (Anthemis nobilis). Lepalone is found in roman camomile and herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 184.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-(furan-3-yl)-2-methylpent-1-en-3-one |
| Nih Violation | True |
| Class | Organooxygen compounds |
| Xlogp | 1.9 |
| Superclass | Organic oxygen compounds |
| Is Pains | False |
| Subclass | Carbonyl compounds |
| Molecular Formula | C10H12O2 |
| Inchi Key | XUCQQLCBOJJVRF-UHFFFAOYSA-N |
| Rotatable Bond Count | 4.0 |
| Synonyms | 5-(3-Furyl)-2-methyl-1-penten-3-one |
| Compound Name | Lepalone |
| Kingdom | Organic compounds |
| Exact Mass | 164.084 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 164.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 164.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Inchi | InChI=1S/C10H12O2/c1-8(2)10(11)4-3-9-5-6-12-7-9/h5-7H,1,3-4H2,2H3 |
| Smiles | CC(=C)C(=O)CCC1=COC=C1 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Alpha-branched alpha,beta-unsaturated ketones |
- 1. Outgoing r'ship
FOUND_INto/from Anthemis Nobilis (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Chamaemelum Nobile (Plant) Rel Props:Source_db:fooddb_chem_all