Levistilide A
PubChem CID: 13965085
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| Compound Synonyms | Levistilide A, levistolide A, SCHEMBL23500024, (6Z,16Z)-6,16-dibutylidene-5,15-dioxapentacyclo[9.5.2.0^{1,13}.0^{2,10}.0^{3,7}]octadeca-3(7),12-diene-4,14-dione, 89708-23-6, (1Z,5S,5aS,8Z,10bS,10cS)-1,8-dibutylidene-5,5a,6,7,8,10b-hexahydro-1H-5,10c-ethanonaphtho(1,2-c:7,8-c')difuran-3,10-dione, (6Z,16Z)-6,16-Di(butylidene)-5,15-dioxapentacyclo[9.5.2.01,13.02,10.03,7]octadeca-3(7),12-diene-4,14-dione |
|---|---|
| Topological Polar Surface Area | 52.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 28.0 |
| Description | Constituent of Levisticum officinale (lovage). Levistolide A is found in lovage and herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 871.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (6Z,16Z)-6,16-di(butylidene)-5,15-dioxapentacyclo[9.5.2.01,13.02,10.03,7]octadeca-3(7),12-diene-4,14-dione |
| Nih Violation | False |
| Class | Dihydrofurans |
| Xlogp | 4.9 |
| Superclass | Organoheterocyclic compounds |
| Is Pains | False |
| Subclass | Furanones |
| Molecular Formula | C24H28O4 |
| Inchi Key | UBBRXVRQZJSDAK-DZWUWFSDSA-N |
| Rotatable Bond Count | 4.0 |
| State | Solid |
| Synonyms | Isodiospyrin, Isoldiospyrin, Levistolide A, Levistilide a, (1Z,5S,5AS,8Z,10BS,10CS)-1,8-dibutylidene-5,5a,6,7,8,10b-hexahydro-1H-5,10C-ethanonaphtho(1,2-c:7,8-c')difuran-3,10-dione |
| Compound Name | Levistilide A |
| Kingdom | Organic compounds |
| Exact Mass | 380.199 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 380.199 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 380.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 2.0 |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Inchi | InChI=1S/C24H28O4/c1-3-5-7-18-16-10-9-15-14-11-12-24(21(15)20(16)23(26)27-18)17(13-14)22(25)28-19(24)8-6-4-2/h7-8,13-15,21H,3-6,9-12H2,1-2H3/b18-7-,19-8- |
| Smiles | CCC/C=C\1/C2=C(C3C(CC2)C4CCC3\5C(=C4)C(=O)O/C5=C\CCC)C(=O)O1 |
| Defined Bond Stereocenter Count | 2.0 |
| Taxonomy Direct Parent | Butenolides |
- 1. Outgoing r'ship
FOUND_INto/from Levisticum Officinale (Plant) Rel Props:Source_db:fooddb_chem_all