Tetraphyllin B
PubChem CID: 115164
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| Compound Synonyms | Tetraphyllin B, NSC370271, TETRAPHYLLIN B: EPITETRAPHYLLIN B (KCS-2CA), (1S,4S)-Tetraphyllin B, NSC-370271 |
|---|---|
| Topological Polar Surface Area | 143.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 20.0 |
| Description | Isolated from dried damiana leaves (Turnera diffusa). Tetraphyllin B is found in papaya. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 433.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopent-2-ene-1-carbonitrile |
| Nih Violation | False |
| Class | Carbohydrates and carbohydrate conjugates |
| Xlogp | -2.3 |
| Superclass | Organooxygen compounds |
| Is Pains | False |
| Subclass | Glycosyl compounds |
| Molecular Formula | C12H17NO7 |
| Inchi Key | JRCWYCAEAZEYNW-UHFFFAOYSA-N |
| Rotatable Bond Count | 3.0 |
| State | Solid |
| Synonyms | (1S,4S)-Tetraphyllin B, Barterin, Tetraphyllin B, TETRAPHYLLIN B: EPITETRAPHYLLIN B (KCS-2CA), (1S,4S)-Tetraphyllin b, TETRAPHYLLIN b: epitetraphyllin b (KCS-2ca) |
| Substituent Name | Cyanogenic glycoside, O-glycosyl compound, Oxane, Monosaccharide, Secondary alcohol, Polyol, 1,2-diol, Oxacycle, Organoheterocyclic compound, Nitrile, Carbonitrile, Ether, Acetal, Hydrocarbon derivative, Primary alcohol, Organonitrogen compound, Alcohol, Aliphatic heteromonocyclic compound |
| Compound Name | Tetraphyllin B |
| Kingdom | Organic compounds |
| Exact Mass | 287.101 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 287.101 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 287.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Inchi | InChI=1S/C12H17NO7/c13-5-12(2-1-6(15)3-12)20-11-10(18)9(17)8(16)7(4-14)19-11/h1-2,6-11,14-18H,3-4H2 |
| Smiles | C1C(C=CC1(C#N)OC2C(C(C(C(O2)CO)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Cyanogenic glycosides |
- 1. Outgoing r'ship
FOUND_INto/from Carica Papaya (Plant) Rel Props:Source_db:fooddb_chem_all