2',4'-Dihydroxy-4-methoxychalcone
PubChem CID: 5711223
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| Compound Synonyms | 2',4'-DIHYDROXY-4-METHOXYCHALCONE, 13351-10-5, Chalcone, 2'4'-dihydroxy-4-methoxy-, (E)-1-(2,4-dihydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one, 2'4'-Dihydroxy-4-methoxychalcone, MFCD00076026, 2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(4-methoxyphenyl)-, Acrylophenone, 2',4'-dihydroxy-3-(p-methoxyphenyl)-, CHEMBL182653, Isoliquiritigenin 4-methyl ether, 1-(2,4-Dihydroxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one, 35J396712J, 2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(4-methoxyphenyl)-, (2E)-, 81674-91-1, (2E)-1-(2,4-dihydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one, DTXSID501298910, 2',4-dihydroxy-4'-methoxychalcone, UNII-35J396712J, CHALCONE, 2',4'-DIHYDROXY-4-METHOXY-, SPECTRUM1505152, Isoliquiritigenin-4-methyl ether, ADRQFDIWPRFKSP-RUDMXATFSA-N, CHEBI:229992, DTXCID101729052, BDBM50213034, LMPK12120097, 2'',4''-dihydroxy-4-methoxychalcone, AKOS002274511, FD65407, NCGC00096036-01, NS-04336, PD118989, 2',4'-Dihydroxy-4-methoxychalcone, AldrichCPR, AB00114426-01, SR-05000002519, SR-05000002519-1, BRD-K82207906-001-01-0, 1-(2,4-Dihydroxy-phenyl)-3-(4-methoxy-phenyl)-propenone, 1-(2,4-Dihydroxyphenyl)-3-(4-methoxyphenyl)-prop-2-en-1-one |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 344.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q7ZJM1, P18031, P37231, P02545, Q99714, P10636, P51450, P00352, P16050, P28482, Q03164, P15428, P04637, P08684, P11473, O94782, Q9UNQ0, P07943, Q9NUW8, P27695, Q96RI1, Q7BGE6 |
| Iupac Name | (E)-1-(2,4-dihydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one |
| Prediction Hob | 1.0 |
| Target Id | NPT483, NPT149, NPT51, NPT94, NPT792, NPT282, NPT151, NPT539, NPT109, NPT1422 |
| Xlogp | 3.7 |
| Molecular Formula | C16H14O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ADRQFDIWPRFKSP-RUDMXATFSA-N |
| Fcsp3 | 0.0625 |
| Logs | -3.923 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.058 |
| Compound Name | 2',4'-Dihydroxy-4-methoxychalcone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 270.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 270.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 270.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.0330607999999994 |
| Inchi | InChI=1S/C16H14O4/c1-20-13-6-2-11(3-7-13)4-9-15(18)14-8-5-12(17)10-16(14)19/h2-10,17,19H,1H3/b9-4+ |
| Smiles | COC1=CC=C(C=C1)/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 Aspilia Parvifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Astragalus Adsurgens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Barringtonia Acutangula (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Corydalis Densiflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Craibiodendron Yunnanense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Dalbergia Congestiflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Desmodium Canadense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Embelia Ribes (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Khaya Grandifoliola (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Mabea Fistulifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Napoleonaea Vogelii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Schleichera Trijuga (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Schultesia Guianensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Triclisia Subcordata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all