(2R)-1-(2,4-dihydroxyphenyl)-2-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]propan-1-one
PubChem CID: 132504086
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL4076273 |
|---|---|
| Topological Polar Surface Area | 98.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 471.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-1-(2,4-dihydroxyphenyl)-2-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]propan-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.4 |
| Molecular Formula | C20H22O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WYPGIGRZEXKXIJ-LJQANCHMSA-N |
| Fcsp3 | 0.25 |
| Logs | -2.992 |
| Rotatable Bond Count | 6.0 |
| Logd | 1.453 |
| Compound Name | (2R)-1-(2,4-dihydroxyphenyl)-2-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]propan-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 342.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 342.147 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 342.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.6688242 |
| Inchi | InChI=1S/C20H22O5/c1-12(2)3-5-14-9-13(4-8-17(14)22)10-19(24)20(25)16-7-6-15(21)11-18(16)23/h3-4,6-9,11,19,21-24H,5,10H2,1-2H3/t19-/m1/s1 |
| Smiles | CC(=CCC1=C(C=CC(=C1)C[C@H](C(=O)C2=C(C=C(C=C2)O)O)O)O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Source_db:cmaup_ingredients