Anhydroglycinol
PubChem CID: 442667
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Anhydroglycinol, 67685-22-7, 3,9-dihydroxypterocarp-6a-en, 6H-[1]benzofuro[3,2-c]chromene-3,9-diol, 6H-Benzofuro[3,2-c][1]benzopyran-3,9-diol, 3,9-Dihydroxypterocarpene, HN0S549OLN, 6H-Benzofuro(3,2-C)(1)benzopyran-3,9-diol, UNII-HN0S549OLN, 3,9-Dihydroxypterocarpen, CHEBI:2727, SCHEMBL4742427, DTXSID70331898, HY-N2874, SCA68522, LMPK12070149, AKOS028108666, FS-8713, DB-242804, CS-0023453, Q27105786, B0005-477290 |
|---|---|
| Topological Polar Surface Area | 62.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Description | Anhydroglycinol, also known as 3,9-dihydroxypterocarpen, is a member of the class of compounds known as pterocarpans. Pterocarpans are benzo-pyrano-furano-benzene compounds, containing the 6H-[1]benzofuro[3,2-c]chromene skeleton. They are derivatives of isoflavonoids. Thus, anhydroglycinol is considered to be a flavonoid lipid molecule. Anhydroglycinol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Anhydroglycinol can be found in common beet, which makes anhydroglycinol a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 347.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6H-[1]benzofuro[3,2-c]chromene-3,9-diol |
| Prediction Hob | 1.0 |
| Class | Isoflavonoids |
| Xlogp | 2.8 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | Furanoisoflavonoids |
| Molecular Formula | C15H10O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WYIDBNAGSMCMET-UHFFFAOYSA-N |
| Fcsp3 | 0.0666666666666666 |
| Logs | -3.715 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.253 |
| Synonyms | 3,9-Dihydroxypterocarpen, 3,9-Dihydroxypterocarpene |
| Compound Name | Anhydroglycinol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 254.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 254.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 254.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -3.7771047263157893 |
| Inchi | InChI=1S/C15H10O4/c16-8-2-4-11-13(5-8)18-7-12-10-3-1-9(17)6-14(10)19-15(11)12/h1-6,16-17H,7H2 |
| Smiles | C1C2=C(C3=C(O1)C=C(C=C3)O)OC4=C2C=CC(=C4)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Pterocarpans |
- 1. Outgoing r'ship
FOUND_INto/from Beta Vulgaris (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Teucrium Betonicum (Plant) Rel Props:Source_db:cmaup_ingredients