(3R)-4-hydroxy-2'-methoxyspiro[1,2-dihydroindene-3,6'-cyclohex-2-ene]-1',4'-dione
PubChem CID: 132525208
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| Compound Synonyms | CHEMBL3928545 |
|---|---|
| Topological Polar Surface Area | 63.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 453.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3R)-4-hydroxy-2'-methoxyspiro[1,2-dihydroindene-3,6'-cyclohex-2-ene]-1',4'-dione |
| Prediction Hob | 1.0 |
| Xlogp | 1.4 |
| Molecular Formula | C15H14O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | VAMHEQWFNJSLHD-OAHLLOKOSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -3.416 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.587 |
| Compound Name | (3R)-4-hydroxy-2'-methoxyspiro[1,2-dihydroindene-3,6'-cyclohex-2-ene]-1',4'-dione |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 258.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 258.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 258.269 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.5098768105263156 |
| Inchi | InChI=1S/C15H14O4/c1-19-12-7-10(16)8-15(14(12)18)6-5-9-3-2-4-11(17)13(9)15/h2-4,7,17H,5-6,8H2,1H3/t15-/m1/s1 |
| Smiles | COC1=CC(=O)C[C@]2(C1=O)CCC3=C2C(=CC=C3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dendrobium Nobile (Plant) Rel Props:Source_db:cmaup_ingredients