Isoamericanol
PubChem CID: 131752715
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| Compound Synonyms | Isoamericanol |
|---|---|
| Topological Polar Surface Area | 99.4 |
| Hydrogen Bond Donor Count | 4.0 |
| Inchi Key | PPZYUSOIUGJLFB-UPHRSURJSA-N |
| Rotatable Bond Count | 4.0 |
| Synonyms | 4'-Thioadenosine, Isoamericanol |
| Heavy Atom Count | 24.0 |
| Compound Name | Isoamericanol |
| Description | Isolated from the seeds of Phytolacca americana (pokeberry). Isoamericanol A is found in fruits and american pokeweed. |
| Exact Mass | 330.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 330.11 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 428.0 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 330.3 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[2-(hydroxymethyl)-6-[(Z)-3-hydroxyprop-1-enyl]-2,3-dihydro-1,4-benzodioxin-3-yl]benzene-1,2-diol |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C18H18O6/c19-7-1-2-11-3-6-15-16(8-11)24-18(17(10-20)23-15)12-4-5-13(21)14(22)9-12/h1-6,8-9,17-22H,7,10H2/b2-1- |
| Smiles | C1=CC2=C(C=C1/C=C\CO)OC(C(O2)CO)C3=CC(=C(C=C3)O)O |
| Xlogp | 1.6 |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C18H18O6 |
- 1. Outgoing r'ship
FOUND_INto/from Phytolacca Americana (Plant) Rel Props:Source_db:fooddb_chem_all