4,2',3',4'-Tetrahydroxychalcone
PubChem CID: 42607560
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 4,2',3',4'-Tetrahydroxychalcone, (E)-3-(4-hydroxyphenyl)-1-(2,3,4-trihydroxyphenyl)prop-2-en-1-one, CHEMBL3780469, CHEBI:196261, LMPK12120151, 294639-07-9 |
|---|---|
| Topological Polar Surface Area | 98.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 359.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-3-(4-hydroxyphenyl)-1-(2,3,4-trihydroxyphenyl)prop-2-en-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C15H12O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HHNXXWDNZKAGHV-XVNBXDOJSA-N |
| Fcsp3 | 0.0 |
| Logs | -2.552 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.81 |
| Compound Name | 4,2',3',4'-Tetrahydroxychalcone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 272.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 272.068 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 272.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.5505872 |
| Inchi | InChI=1S/C15H12O5/c16-10-4-1-9(2-5-10)3-7-12(17)11-6-8-13(18)15(20)14(11)19/h1-8,16,18-20H/b7-3+ |
| Smiles | C1=CC(=CC=C1/C=C/C(=O)C2=C(C(=C(C=C2)O)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Spatholobus Suberectus (Plant) Rel Props:Source_db:cmaup_ingredients