5,7,4'-Trihydroxy-8-(1,1-dimethylallyl)flavanone
PubChem CID: 12114693
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| Compound Synonyms | Ugonin E, 5,7,4'-Trihydroxy-8-(1,1-dimethylallyl)flavanone, LMPK12140297 |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 508.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(2-methylbut-3-en-2-yl)-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Molecular Formula | C20H20O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QEGKZPOCQRZIAS-INIZCTEOSA-N |
| Fcsp3 | 0.25 |
| Logs | -4.287 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.364 |
| Compound Name | 5,7,4'-Trihydroxy-8-(1,1-dimethylallyl)flavanone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 340.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 340.131 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 340.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.9236249999999995 |
| Inchi | InChI=1S/C20H20O5/c1-4-20(2,3)18-15(24)9-13(22)17-14(23)10-16(25-19(17)18)11-5-7-12(21)8-6-11/h4-9,16,21-22,24H,1,10H2,2-3H3/t16-/m0/s1 |
| Smiles | CC(C)(C=C)C1=C(C=C(C2=C1O[C@@H](CC2=O)C3=CC=C(C=C3)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Helminthostachys Zeylanica (Plant) Rel Props:Source_db:cmaup_ingredients