2-(3,5-Dihydroxyphenyl)-6-hydroxy-1-benzofuran-5-carbaldehyde
PubChem CID: 46177530
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| Compound Synonyms | CHEMBL3397405 |
|---|---|
| Topological Polar Surface Area | 90.9 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 350.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 2-(3,5-dihydroxyphenyl)-6-hydroxy-1-benzofuran-5-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C15H10O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JPEZKGGHIXXEFQ-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.918 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.828 |
| Compound Name | 2-(3,5-Dihydroxyphenyl)-6-hydroxy-1-benzofuran-5-carbaldehyde |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 270.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 270.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 270.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.784388 |
| Inchi | InChI=1S/C15H10O5/c16-7-10-1-8-4-14(20-15(8)6-13(10)19)9-2-11(17)5-12(18)3-9/h1-7,17-19H |
| Smiles | C1=C(C=C(C=C1O)O)C2=CC3=CC(=C(C=C3O2)O)C=O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all