Sophoraflavanone L
PubChem CID: 16083180
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| Compound Synonyms | SOPHORAFLAVANONE L, CHEBI:66513, CHEMBL463940, DTXSID101104006, 910459-01-7, Q27135119, 5,2',4'-trihydroxy-7-(gamma,gamma-dimethylallyloxy)-8-(gamma,gamma-dimethylallyl)flavanone, 2-(2,4-Dihydroxyphenyl)-2,3-dihydro-5-hydroxy-8-(3-methyl-2-buten-1-yl)-7-[(3-methyl-2-buten-1-yl)oxy]-4H-1-benzopyran-4-one, 2-(2,4-dihydroxyphenyl)-5-hydroxy-7-(3-methylbut-2-enoxy)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one, 2-(2,4-dihydroxyphenyl)-5-hydroxy-8-(3-methylbut-2-en-1-yl)-7-[(3-methylbut-2-en-1-yl)oxy]-2,3-dihydro-4H-chromen-4-one |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 677.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2,4-dihydroxyphenyl)-5-hydroxy-7-(3-methylbut-2-enoxy)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 5.8 |
| Molecular Formula | C25H28O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SXRPAWKWQUYIOI-UHFFFAOYSA-N |
| Fcsp3 | 0.32 |
| Logs | -3.044 |
| Rotatable Bond Count | 6.0 |
| Logd | 4.207 |
| Compound Name | Sophoraflavanone L |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 424.189 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 424.189 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 424.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.010008212903227 |
| Inchi | InChI=1S/C25H28O6/c1-14(2)5-7-18-22(30-10-9-15(3)4)12-20(28)24-21(29)13-23(31-25(18)24)17-8-6-16(26)11-19(17)27/h5-6,8-9,11-12,23,26-28H,7,10,13H2,1-4H3 |
| Smiles | CC(=CCC1=C(C=C(C2=C1OC(CC2=O)C3=C(C=C(C=C3)O)O)O)OCC=C(C)C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Sophora Flavescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all