Radulifolin C
PubChem CID: 10824069
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| Compound Synonyms | radulifolin C, (4S)-6-hydroxy-3,4,5-trimethyl-4H-benzo(f)(1)benzofuran-9-one, (4S)-6-hydroxy-3,4,5-trimethyl-4H-benzo[f][1]benzofuran-9-one, CHEMBL476891, 340008-66-4 |
|---|---|
| Topological Polar Surface Area | 50.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 354.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (4S)-6-hydroxy-3,4,5-trimethyl-4H-benzo[f][1]benzofuran-9-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Is Pains | False |
| Molecular Formula | C15H14O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BCLBUXXKJTVORM-SECBINFHSA-N |
| Fcsp3 | 0.2666666666666666 |
| Rotatable Bond Count | 0.0 |
| Compound Name | Radulifolin C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 242.094 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 242.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 242.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.974121022222222 |
| Inchi | InChI=1S/C15H14O3/c1-7-6-18-15-12(7)9(3)13-8(2)11(16)5-4-10(13)14(15)17/h4-6,9,16H,1-3H3/t9-/m1/s1 |
| Smiles | C[C@@H]1C2=C(C(=O)C3=C1C(=C(C=C3)O)C)OC=C2C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dryopteris Austriaca (Plant) Rel Props:Source_db:cmaup_ingredients