Hesperetin(1-)
PubChem CID: 49859576
Connections displayed (default: 10).
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| Compound Synonyms | hesperetin(1-), (2S)-hesperetin, hesperetin anion, CHEBI:61249, Q27130930, (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochroman-7-olate |
|---|---|
| Topological Polar Surface Area | 99.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 413.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-5-olate |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C16H13O6- |
| Prediction Swissadme | 0.0 |
| Inchi Key | AIONOLUJZLIMTK-AWEZNQCLSA-M |
| Fcsp3 | 0.1875 |
| Logs | -4.14 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.582 |
| Compound Name | Hesperetin(1-) |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 301.071 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 301.071 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 301.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6175351636363637 |
| Inchi | InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/p-1/t14-/m0/s1 |
| Smiles | COC1=C(C=C(C=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O)[O-])O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Lactiflora (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Citrus Aurantium (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Citrus Limon (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Citrus Unshiu (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Schizonepeta Tenuifolia (Plant) Rel Props:Source_db:cmaup_ingredients