1',3',3',4,9,9-hexamethylspiro[9aH-furo[3,2-b]quinoline-2,2'-indole]
PubChem CID: 340816
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| Compound Synonyms | NSC371909, Oprea1_452906, NSC-371909 |
|---|---|
| Topological Polar Surface Area | 15.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | IKTUDKBXMZIAIC-UHFFFAOYSA-N |
| Rotatable Bond Count | 0.0 |
| Heavy Atom Count | 27.0 |
| Compound Name | 1',3',3',4,9,9-hexamethylspiro[9aH-furo[3,2-b]quinoline-2,2'-indole] |
| Description | 5,7,3',4'-tetrahydroxyflavanone 7-alpha-l-arabinofuranosyl-(1->6)-glucoside is a member of the class of compounds known as hydroquinolines. Hydroquinolines are derivatives of quinoline in which in which at least one double bond in the quinoline moiety are reduced by adding two hydrogen atoms. 5,7,3',4'-tetrahydroxyflavanone 7-alpha-l-arabinofuranosyl-(1->6)-glucoside is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 5,7,3',4'-tetrahydroxyflavanone 7-alpha-l-arabinofuranosyl-(1->6)-glucoside can be found in pomegranate, which makes 5,7,3',4'-tetrahydroxyflavanone 7-alpha-l-arabinofuranosyl-(1->6)-glucoside a potential biomarker for the consumption of this food product. |
| Exact Mass | 360.22 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 360.22 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 653.0 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 360.5 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1',3',3',4,9,9-hexamethylspiro[9aH-furo[3,2-b]quinoline-2,2'-indole] |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C24H28N2O/c1-22(2)16-11-7-9-13-18(16)25(5)20-15-24(27-21(20)22)23(3,4)17-12-8-10-14-19(17)26(24)6/h7-15,21H,1-6H3 |
| Smiles | CC1(C2C(=CC3(O2)C(C4=CC=CC=C4N3C)(C)C)N(C5=CC=CC=C51)C)C |
| Xlogp | 5.3 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C24H28N2O |
- 1. Outgoing r'ship
FOUND_INto/from Punica Granatum (Plant) Rel Props:Source_db:fooddb_chem_all