Charine
PubChem CID: 137199997
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| Compound Synonyms | Charine, 2,4-diamino-5-(3,4,5-trihydroxyoxan-2-yl)oxy-1H-pyrimidin-6-one, 165171-52-8, CHEBI:174609 |
|---|---|
| Topological Polar Surface Area | 173.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Inchi Key | VSPBJCAGAJBGKS-UHFFFAOYSA-N |
| Rotatable Bond Count | 2.0 |
| Synonyms | Charine |
| Heavy Atom Count | 19.0 |
| Compound Name | Charine |
| Description | Alkaloid from the unripe fruit of Momordica charantia (bitter melon). Charine is found in bitter gourd and fruits. |
| Exact Mass | 274.091 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 274.091 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 450.0 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 274.23 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,4-diamino-5-(3,4,5-trihydroxyoxan-2-yl)oxy-1H-pyrimidin-6-one |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C9H14N4O6/c10-6-5(7(17)13-9(11)12-6)19-8-4(16)3(15)2(14)1-18-8/h2-4,8,14-16H,1H2,(H5,10,11,12,13,17) |
| Smiles | C1C(C(C(C(O1)OC2=C(N=C(NC2=O)N)N)O)O)O |
| Xlogp | -3.7 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C9H14N4O6 |
- 1. Outgoing r'ship
FOUND_INto/from Momordica Charantia (Plant) Rel Props:Source_db:fooddb_chem_all