Aureusidin-6-olate
PubChem CID: 49852315
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| Compound Synonyms | aureusidin-6-olate, aureusidin(1-), CHEBI:58393, Q27125754, (2Z)-2-(3,4-dihydroxybenzylidene)-4-hydroxy-3-oxo-2,3-dihydro-1-benzofuran-6-olate |
|---|---|
| Topological Polar Surface Area | 110.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 447.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[(Z)-(4,6-dihydroxy-3-oxo-1-benzofuran-2-ylidene)methyl]-2-hydroxyphenolate |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C15H9O6- |
| Prediction Swissadme | 0.0 |
| Inchi Key | WBEFUVAYFSOUEA-PQMHYQBVSA-M |
| Fcsp3 | 0.0 |
| Logs | -3.404 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.143 |
| Compound Name | Aureusidin-6-olate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 285.04 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 285.04 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 285.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.8237893428571423 |
| Inchi | InChI=1S/C15H10O6/c16-8-5-11(19)14-12(6-8)21-13(15(14)20)4-7-1-2-9(17)10(18)3-7/h1-6,16-19H/p-1/b13-4- |
| Smiles | C1=CC(=C(C=C1/C=C\2/C(=O)C3=C(C=C(C=C3O2)O)O)O)[O-] |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Limon (Plant) Rel Props:Source_db:cmaup_ingredients