Davanone
PubChem CID: 519782
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| Compound Synonyms | Davanone, 2-(5-ethenyl-5-methyloxolan-2-yl)-6-methylhept-5-en-3-one, 30810-99-2, Davanone C, 5-Hepten-3-one, 2-(5-ethenyltetrahydro-5-methyl-2-furanyl)-6-methyl-, 5-Hepten-3-one, 6-methyl-2-(tetrahydro-5-methyl-5-vinyl-2-furyl)-, 6-Methyl-2-(5-methyl-5-vinyltetrahydro-2-furanyl)-5-hepten-3-one #, EX-A9091K, CHEBI:173721, FJKKZNIYYVEYOL-UHFFFAOYSA-N, DTXSID501163951, 2-(5-Ethenyltetrahydro-5-methyl-2-furanyl)-6-methyl-5-hepten-3-one, 2-(5-Ethenyltetrahydro-5-methyl-2-furanyl)-6-methyl-5-hepten-3-one, 9CI |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Description | Main component of davana oil from Artemisia pallens. Davana oil used in food flavouring |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 326.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(5-ethenyl-5-methyloxolan-2-yl)-6-methylhept-5-en-3-one |
| Prediction Hob | 1.0 |
| Class | Tetrahydrofurans |
| Xlogp | 3.3 |
| Superclass | Organoheterocyclic compounds |
| Molecular Formula | C15H24O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | FJKKZNIYYVEYOL-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Rotatable Bond Count | 5.0 |
| Synonyms | 2-(5-Ethenyltetrahydro-5-methyl-2-furanyl)-6-methyl-5-hepten-3-one, 9CI, Davanone c, 2-(5-ethenyltetrahydro-5-Methyl-2-furanyl)-6-methyl-5-hepten-3-one, 9ci, Davanone |
| Compound Name | Davanone |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 236.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 236.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 236.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Esol | -3.073301 |
| Inchi | InChI=1S/C15H24O2/c1-6-15(5)10-9-14(17-15)12(4)13(16)8-7-11(2)3/h6-7,12,14H,1,8-10H2,2-5H3 |
| Smiles | CC(C1CCC(O1)(C)C=C)C(=O)CC=C(C)C |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Tetrahydrofurans |
- 1. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all