4,2',4',6'-Tetrahydroxy-3,5-diprenyldihydrochalcone
PubChem CID: 42607697
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| Compound Synonyms | 4,2',4',6'-Tetrahydroxy-3,5-diprenyldihydrochalcone, 3-(4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one, 3-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]-1-(2,4,6-trihydroxyphenyl)propan-1-one, SCHEMBL7187290, LMPK12120522, 156788-65-7 |
|---|---|
| Topological Polar Surface Area | 98.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 575.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]-1-(2,4,6-trihydroxyphenyl)propan-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 6.5 |
| Molecular Formula | C25H30O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YVGQVBTVRWWNNS-UHFFFAOYSA-N |
| Fcsp3 | 0.32 |
| Logs | -3.142 |
| Rotatable Bond Count | 8.0 |
| Logd | 4.083 |
| Compound Name | 4,2',4',6'-Tetrahydroxy-3,5-diprenyldihydrochalcone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 410.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 410.209 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 410.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.2355620000000025 |
| Inchi | InChI=1S/C25H30O5/c1-15(2)5-8-18-11-17(12-19(25(18)30)9-6-16(3)4)7-10-21(27)24-22(28)13-20(26)14-23(24)29/h5-6,11-14,26,28-30H,7-10H2,1-4H3 |
| Smiles | CC(=CCC1=CC(=CC(=C1O)CC=C(C)C)CCC(=O)C2=C(C=C(C=C2O)O)O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hydrocotyle Sibthorpioides (Plant) Rel Props:Source_db:cmaup_ingredients