6-Hydroxyramulosin
PubChem CID: 54707040
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| Compound Synonyms | 6-Hydroxyramulosin, 29913-85-7, (3R,4aS,6R)-6,8-dihydroxy-3-methyl-3,4,4a,5,6,7-hexahydroisochromen-1-one, (3R,4aS,6R)-3,4,4a,5,6,7-hexahydro-6,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one, (3R,4aS,6R)-6,8-dihydroxy-3-methyl-3,4,4a,5,6,7-hexahydro-1H-2-benzopyran-1-one, CHEBI:204612, DTXSID901136673, PD131092, HY-165114, 1H-2-Benzopyran-1-one, 3,4,4a,5,6,7-hexahydro-6,8-dihydroxy-3-methyl-, (3R,4aS,6R)- |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 294.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (3R,4aS,6R)-6,8-dihydroxy-3-methyl-3,4,4a,5,6,7-hexahydroisochromen-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.0 |
| Molecular Formula | C10H14O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VXOJVQJURAQQOK-FSDSQADBSA-N |
| Fcsp3 | 0.7 |
| Logs | -1.406 |
| Rotatable Bond Count | 0.0 |
| Logd | -0.735 |
| Compound Name | 6-Hydroxyramulosin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 198.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 198.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 198.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.6737515999999997 |
| Inchi | InChI=1S/C10H14O4/c1-5-2-6-3-7(11)4-8(12)9(6)10(13)14-5/h5-7,11-12H,2-4H2,1H3/t5-,6-,7-/m1/s1 |
| Smiles | C[C@@H]1C[C@@H]2C[C@H](CC(=C2C(=O)O1)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Thalictrum Lucidum (Plant) Rel Props:Source_db:cmaup_ingredients