2'-Hydroxy-2,4',6'-Trimethoxychalcone
PubChem CID: 637261
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| Compound Synonyms | 2'-Hydroxy-2,4',6'-trimethoxychalcone, 10021-15-5, (E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one, 2-HYDROXY-2',4',6'-TRIMETHOXYCHALCONE, 1-(2-Hydroxy-4.6-dimethoxy-phenyl)-3-(2-methoxyphenyl)-propenone, (2E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one, 2-Propen-1-one, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(2-methoxyphenyl)-, 2-propen-1-one, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(2-methoxyphenyl)-, (2E)-, CHEMBL258497, SCHEMBL5087999, LMPK12120205, AKOS024287214, 2'-Hydroxy-2,4',6'-trimethoxychalcone, AldrichCPR, 118267-80-4 |
|---|---|
| Topological Polar Surface Area | 65.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 408.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a., Q9UNQ0 |
| Iupac Name | (E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Molecular Formula | C18H18O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KKTYCZKXENFEJP-CMDGGOBGSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -5.34 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.393 |
| Compound Name | 2'-Hydroxy-2,4',6'-Trimethoxychalcone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 314.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 314.115 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 314.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.437576356521739 |
| Inchi | InChI=1S/C18H18O5/c1-21-13-10-15(20)18(17(11-13)23-3)14(19)9-8-12-6-4-5-7-16(12)22-2/h4-11,20H,1-3H3/b9-8+ |
| Smiles | COC1=CC=CC=C1/C=C/C(=O)C2=C(C=C(C=C2OC)OC)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Piper Methysticum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all