Puerariafuran
PubChem CID: 16088230
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Puerariafuran, SCHEMBL5324279, 6-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-1-benzofuran-3-carbaldehyde, 917237-11-7 |
|---|---|
| Topological Polar Surface Area | 79.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 374.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-1-benzofuran-3-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C16H12O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WDOIEKGCNWFDSA-UHFFFAOYSA-N |
| Fcsp3 | 0.0625 |
| Logs | -3.822 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.984 |
| Compound Name | Puerariafuran |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 284.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 284.068 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 284.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6403268285714288 |
| Inchi | InChI=1S/C16H12O5/c1-20-14-6-9(18)3-5-12(14)16-13(8-17)11-4-2-10(19)7-15(11)21-16/h2-8,18-19H,1H3 |
| Smiles | COC1=C(C=CC(=C1)O)C2=C(C3=C(O2)C=C(C=C3)O)C=O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pueraria Montana (Plant) Rel Props:Source_db:cmaup_ingredients