2-Isopropenyl-6,10-dimethylspiro[4.5]dec-6-en-8-one
PubChem CID: 521550
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| Compound Synonyms | 2-Isopropenyl-6,10-dimethylspiro[4.5]dec-6-en-8-one, SCHEMBL702784, FGCUSSRGQNHZRW-UHFFFAOYSA-N, 2-Isopropenyl-6,10-dimethylspiro[4.5]dec-6-en-8-one # |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Description | Stress metabolite from potato tubers (Solanum tuberosum). Solavetivone is found in alcoholic beverages and potato. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 364.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one |
| Prediction Hob | 0.0 |
| Class | Prenol lipids |
| Xlogp | 4.0 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Sesquiterpenoids |
| Molecular Formula | C15H22O |
| Prediction Swissadme | 0.0 |
| Inchi Key | FGCUSSRGQNHZRW-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Rotatable Bond Count | 1.0 |
| Synonyms | (-)-solavetivone, 2-Isopropenyl-6,10-dimethylspiro[4.5]dec-6-en-8-one, Katahdinone, Solavetivone, (-)-Solavetivone |
| Compound Name | 2-Isopropenyl-6,10-dimethylspiro[4.5]dec-6-en-8-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 | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Esol | -3.6288079999999994 |
| Inchi | InChI=1S/C15H22O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7,12-13H,1,5-6,8-9H2,2-4H3 |
| Smiles | CC1CC(=O)C=C(C12CCC(C2)C(=C)C)C |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all