Eryvarin R
PubChem CID: 46886696
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| Compound Synonyms | Eryvarin R, CHEMBL1099229 |
|---|---|
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 429.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-hydroxy-3-(4-hydroxy-2,5-dimethoxyphenyl)-2H-1-benzofuran-3-carbaldehyde |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Is Pains | False |
| Molecular Formula | C17H16O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DQJNNMOUPBWQJQ-UHFFFAOYSA-N |
| Fcsp3 | 0.2352941176470588 |
| Rotatable Bond Count | 4.0 |
| Compound Name | Eryvarin R |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 316.095 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 316.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 316.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.069802756521739 |
| Inchi | InChI=1S/C17H16O6/c1-21-14-7-13(20)16(22-2)6-12(14)17(8-18)9-23-15-5-10(19)3-4-11(15)17/h3-8,19-20H,9H2,1-2H3 |
| Smiles | COC1=CC(=C(C=C1C2(COC3=C2C=CC(=C3)O)C=O)OC)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Erythrina Abyssinica (Plant) Rel Props:Source_db:cmaup_ingredients