2,2',4'-Trihydroxychalcone
PubChem CID: 5811533
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| Compound Synonyms | 2,2',4'-Trihydroxychalcone, 26962-50-5, 2,4,2'-Trihydroxychalcone, (E)-1-(2,4-dihydroxyphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one, CCRIS 9281, 1-(2,4-Dihydroxyphenyl)-3-(2-hydroxyphenyl)-2-propen-1-one, Acrylophenone, 2',4'-dihydroxy-3-(o-hydroxyphenyl)-, CHEMBL148472, Chalcone, 2,2',4'-trihydroxy-, 2',4',2-Trihydroxychalcone, NSC 636790, 2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(2-hydroxyphenyl)-, 2,2,4-trihydroxychalcone, NSC636790, MFCD00017717, 2-Propen-1-one,1-(2,4-dihydroxyphenyl)-3-(2-hydroxyphenyl)-, BDBM50027475, AKOS024286651, 2,2'''',4''''-Trihydroxychalcone, 2,2',4'-Trihydroxychalcone, AldrichCPR, G92108, 1-(2,4-dihydroxyphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one, 804-946-2 |
|---|---|
| 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 | P47199, Q7ZJM1, n.a., P07943, P36544, P80457 |
| Iupac Name | (E)-1-(2,4-dihydroxyphenyl)-3-(2-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 | MACMAADVRVVHBD-VMPITWQZSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.12 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.915 |
| Compound Name | 2,2',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/c16-11-6-7-12(15(19)9-11)14(18)8-5-10-3-1-2-4-13(10)17/h1-9,16-17,19H/b8-5+ |
| Smiles | C1=CC=C(C(=C1)/C=C/C(=O)C2=C(C=C(C=C2)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Soymida Febrifuga (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all