(E)-3,2',4'-trihydroxychalcone
PubChem CID: 15680254
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| Compound Synonyms | CHEMBL1083821, SCHEMBL14027262, (E)-3,2',4'-trihydroxychalcone, BDBM50140168, (E)-3,2'''',4''''-Trihydroxychalcone, Z1404734061 |
|---|---|
| Topological Polar Surface Area | 77.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 339.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P80457, n.a. |
| Iupac Name | (E)-1-(2,4-dihydroxyphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C15H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WKMQGQZPDSFACZ-QPJJXVBHSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.578 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.82 |
| Compound Name | (E)-3,2',4'-trihydroxychalcone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 256.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 256.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 256.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.7015618210526315 |
| Inchi | InChI=1S/C15H12O4/c16-11-3-1-2-10(8-11)4-7-14(18)13-6-5-12(17)9-15(13)19/h1-9,16-17,19H/b7-4+ |
| Smiles | C1=CC(=CC(=C1)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 Galenia Africana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all