2,4,2',4'-Tetrahydroxychalcone
PubChem CID: 10107266
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| Compound Synonyms | 2,4,2',4'-Tetrahydroxychalcone, CHEMBL394855, 2,2',4,4'-tetrahydroxychalcone, SCHEMBL675094, (E)-1,3-bis(2,4-dihydroxyphenyl)prop-2-en-1-one, CHEBI:196260, 2,2'',4,4''-tetrahydroxychalcone, 2,4,2'',4''-tetrahydroxychalcone, BDBM50203985, LMPK12120128, PD148015 |
|---|---|
| Topological Polar Surface Area | 98.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 367.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O42713, P11511, P07943, P14679, P11344 |
| Iupac Name | (E)-1,3-bis(2,4-dihydroxyphenyl)prop-2-en-1-one |
| Prediction Hob | 1.0 |
| Target Id | NPT741 |
| Xlogp | 2.8 |
| Molecular Formula | C15H12O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZWTDXYUDJYDHJR-QHHAFSJGSA-N |
| Fcsp3 | 0.0 |
| Logs | -2.997 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.618 |
| Compound Name | 2,4,2',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/c16-10-3-1-9(14(19)7-10)2-6-13(18)12-5-4-11(17)8-15(12)20/h1-8,16-17,19-20H/b6-2+ |
| Smiles | C1=CC(=C(C=C1O)O)/C=C/C(=O)C2=C(C=C(C=C2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Broussonetia Papyrifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Morus Mongolica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all