CID 4486820
PubChem CID: 4486820
Connections displayed (default: 10).
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| Compound Synonyms | SCHEMBL2435210 |
|---|---|
| Topological Polar Surface Area | 72.7 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 11.0 |
| Description | Alkaloid from Solanum tuberosum (potato). Calystegin A3 is found in many foods, some of which are eggplant, alcoholic beverages, potato, and sweet potato. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 175.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-azabicyclo[3.2.1]octane-1,2,3-triol |
| Nih Violation | False |
| Class | Tropane alkaloids |
| Xlogp | -1.5 |
| Superclass | Alkaloids and derivatives |
| Is Pains | False |
| Molecular Formula | C7H13NO3 |
| Inchi Key | XOCBOVUINUHZJA-UHFFFAOYSA-N |
| Rotatable Bond Count | 0.0 |
| Synonyms | Calystegin A3 |
| Compound Name | CID 4486820 |
| Kingdom | Organic compounds |
| Exact Mass | 159.09 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 159.09 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 159.18 |
| 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/C7H13NO3/c9-5-3-4-1-2-7(11,8-4)6(5)10/h4-6,8-11H,1-3H2 |
| Smiles | C1CC2(C(C(CC1N2)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Tropane alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Ipomoea Batatas (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Solanum Melongena (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Source_db:fooddb_chem_all