Ribisin B
PubChem CID: 71461529
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Ribisin B, (-)-ribisin B, CHEMBL2208236, CHEBI:200301, (2S,3S,4R)-4-hydroxy-2,3-dimethoxy-3,4-dihydro-2H-dibenzofuran-1-one, (2S,3S,4R)-4-hydroxy-2,3-dimethoxy-3,4-dihydro-2H-dibenzouran-1-one |
|---|---|
| Topological Polar Surface Area | 68.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 358.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (2S,3S,4R)-4-hydroxy-2,3-dimethoxy-3,4-dihydro-2H-dibenzofuran-1-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 0.9 |
| Is Pains | False |
| Molecular Formula | C14H14O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | SWZHEXQWHYRGEY-YUTCNCBUSA-N |
| Fcsp3 | 0.3571428571428571 |
| Rotatable Bond Count | 2.0 |
| Compound Name | Ribisin B |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 262.084 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 262.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 262.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2515445157894733 |
| Inchi | InChI=1S/C14H14O5/c1-17-13-10(15)9-7-5-3-4-6-8(7)19-12(9)11(16)14(13)18-2/h3-6,11,13-14,16H,1-2H3/t11-,13+,14-/m0/s1 |
| Smiles | CO[C@H]1[C@H](C2=C(C3=CC=CC=C3O2)C(=O)[C@H]1OC)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rubus Idaeus (Plant) Rel Props:Source_db:cmaup_ingredients