7-Hydroxy-5-methoxy-6,8-dimethylflavanone
PubChem CID: 101890693
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| Compound Synonyms | 7-HMDMF cpd, (2S)-7-hydroxy-5-methoxy-6,8-dimethyl-2-phenyl-3,4-dihydrochromen-4(2H)-one, (2s)-7-hydroxy-5-methoxy-6,8-dimethyl flavanone |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 404.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-7-hydroxy-5-methoxy-6,8-dimethyl-2-phenyl-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C18H18O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | QKZDDOUPWXQRIK-AWEZNQCLSA-N |
| Fcsp3 | 0.2777777777777778 |
| Logs | -1.835 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.395 |
| Compound Name | 7-Hydroxy-5-methoxy-6,8-dimethylflavanone |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 298.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 298.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 298.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.008831963636363 |
| Inchi | InChI=1S/C18H18O4/c1-10-16(20)11(2)18-15(17(10)21-3)13(19)9-14(22-18)12-7-5-4-6-8-12/h4-8,14,20H,9H2,1-3H3/t14-/m0/s1 |
| Smiles | CC1=C(C(=C(C2=C1O[C@@H](CC2=O)C3=CC=CC=C3)OC)C)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anabasis Brevifolia (Plant) Rel Props:Source_db:cmaup_ingredients