7,7a-dimethyl-4'-methylidenespiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-2'-one
PubChem CID: 325065
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Fukinanolid, FUKINANOLIDE, 7,7a-dimethyl-4'-methylidenespiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-2'-one, OVXAYHNZXBOVPV-UHFFFAOYSA-N, Spiro[furan-3(2H),2'-[2H]inden]-2-one, decahydro-3'a,4'-dimethyl-4-methylene-, [2'R-(2'.alpha.,3'a.alpha.,4'.alpha.,7'a.alpha.)]-, Spiro[furan-3(2H),2'-indan]-2-one, 3'a,4,4',5,5',6',7',7'a.beta.-octahydro-3'a.beta.,4'.beta.-dimethyl-4-methylene-, (2'R)-, NSC292655, NS00067887, Spiro[furan-3(2H), 3'a,4,4',5,5',6',7',7'a.beta.-octahydro-3'a.beta.,4'.beta.-dimethyl-4-methylene-, (2'R)-, Spiro[furan-3(2H), decahydro-3'a,4'-dimethyl-4-methylene-, [2'R-(2'.alpha.,3'a.alpha.,4'.alpha.,7'a.alpha.)]- |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | OVXAYHNZXBOVPV-UHFFFAOYSA-N |
| Rotatable Bond Count | 0.0 |
| Synonyms | Bakkenolid a, Bakkenolide A, Fukinanolid |
| Heavy Atom Count | 17.0 |
| Compound Name | 7,7a-dimethyl-4'-methylidenespiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-2'-one |
| Kingdom | Organic compounds |
| Description | Fukinanolide is a member of the class of compounds known as terpene lactones. Terpene lactones are prenol lipids containing a lactone ring. Fukinanolide is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Fukinanolide can be found in burdock and giant butterbur, which makes fukinanolide a potential biomarker for the consumption of these food products. |
| Exact Mass | 234.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 234.162 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 386.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 234.33 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7,7a-dimethyl-4'-methylidenespiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-2'-one |
| Total Atom Stereocenter Count | 4.0 |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Total Bond Stereocenter Count | 0.0 |
| Class | Prenol lipids |
| Inchi | InChI=1S/C15H22O2/c1-10-5-4-6-12-7-15(9-14(10,12)3)11(2)8-17-13(15)16/h10,12H,2,4-9H2,1,3H3 |
| Smiles | CC1CCCC2C1(CC3(C2)C(=C)COC3=O)C |
| Xlogp | 3.5 |
| Superclass | Lipids and lipid-like molecules |
| Defined Bond Stereocenter Count | 0.0 |
| Subclass | Terpene lactones |
| Taxonomy Direct Parent | Terpene lactones |
| Molecular Formula | C15H22O2 |
- 1. Outgoing r'ship
FOUND_INto/from Arctium Lappa (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Petasites Japonicus (Plant) Rel Props:Source_db:fooddb_chem_all