2,4,4'-Trihydroxydihydrochalcone
PubChem CID: 10801179
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2,4,4'-trihydroxydihydrochalcone, 15097-74-2, 3-(2,4-dihydroxyphenyl)-1-(4-hydroxyphenyl)propan-1-one, 1-Propanone, 3-(2,4-dihydroxyphenyl)-1-(4-hydroxyphenyl)-, 2,4,4/'-Trihydroxydihydrochalcone, DTXSID40445133, 244'-Trihydroxydihydrochalcone, CHEMBL253564, SCHEMBL7197204, DTXCID10395954, QAA09774, LMPK12120606, AKOS040760981, CS-0149058 |
|---|---|
| Topological Polar Surface Area | 77.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 297.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 3-(2,4-dihydroxyphenyl)-1-(4-hydroxyphenyl)propan-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C15H14O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IVBQZFJZIGYXMK-UHFFFAOYSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -2.839 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.436 |
| Compound Name | 2,4,4'-Trihydroxydihydrochalcone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 258.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 258.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 258.269 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1755610210526317 |
| Inchi | InChI=1S/C15H14O4/c16-12-5-1-10(2-6-12)14(18)8-4-11-3-7-13(17)9-15(11)19/h1-3,5-7,9,16-17,19H,4,8H2 |
| Smiles | C1=CC(=CC=C1C(=O)CCC2=C(C=C(C=C2)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dracaena Cochinchinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Soymida Febrifuga (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all