2',5,6',7-Tetrahydroxyflavanone
PubChem CID: 42607849
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| Compound Synonyms | 2',5,6',7-Tetrahydroxyflavanone, 80604-16-6, 5,7,2',6'-Tetrahydroxyflavanone, 2-(2,6-Dihydroxyphenyl)-5,7-dihydroxychroman-4-one, FDA60416, LMPK12140121, AKOS022184911, DA-49272 |
|---|---|
| Topological Polar Surface Area | 107.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 390.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2,6-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Molecular Formula | C15H12O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | TWELZOKMSAJRKP-UHFFFAOYSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -3.546 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.138 |
| Compound Name | 2',5,6',7-Tetrahydroxyflavanone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 288.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 288.063 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 288.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3448381428571423 |
| Inchi | InChI=1S/C15H12O6/c16-7-4-10(19)15-11(20)6-13(21-12(15)5-7)14-8(17)2-1-3-9(14)18/h1-5,13,16-19H,6H2 |
| Smiles | C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=C(C=CC=C3O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Portulaca Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all