7,7a-dimethyl-4'-methylidenespiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-2'-one
PubChem CID: 325065
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| 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 |
| Heavy Atom Count | 17.0 |
| 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. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 386.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| 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 |
| Nih Violation | False |
| Class | Prenol lipids |
| Xlogp | 3.5 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Terpene lactones |
| Molecular Formula | C15H22O2 |
| Inchi Key | OVXAYHNZXBOVPV-UHFFFAOYSA-N |
| Rotatable Bond Count | 0.0 |
| Synonyms | Bakkenolid a, Bakkenolide A, Fukinanolid |
| Compound Name | 7,7a-dimethyl-4'-methylidenespiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-2'-one |
| Kingdom | Organic compounds |
| Exact Mass | 234.162 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 234.162 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 234.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| 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 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Terpene lactones |
- 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