2',4,5'-Trihydroxychalcone
PubChem CID: 5980988
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| Compound Synonyms | 4,2',5'-TRIHYDROXYCHALCONE, 2',4,5'-trihydroxychalcone, CHEMBL2297684, SCHEMBL634059, NMANELLSWUVZNL-XVNBXDOJSA-N, BDBM50027472, LMPK12120195, AKOS024286650, 4,2',5'-Trihydroxychalcone, AldrichCPR |
|---|---|
| Topological Polar Surface Area | 77.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 331.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-1-(2,5-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one |
| Prediction Hob | 1.0 |
| Target Id | NPT410 |
| Xlogp | 3.2 |
| Molecular Formula | C15H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NMANELLSWUVZNL-XVNBXDOJSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.079 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.824 |
| Compound Name | 2',4,5'-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/c16-11-4-1-10(2-5-11)3-7-14(18)13-9-12(17)6-8-15(13)19/h1-9,16-17,19H/b7-3+ |
| Smiles | C1=CC(=CC=C1/C=C/C(=O)C2=C(C=CC(=C2)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