(E)-3-(4-hydroxy-3-methoxyphenyl)-2-methyl-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one
PubChem CID: 131751488
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| Topological Polar Surface Area | 107.0 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 23.0 |
| Description | Claimed to be isolated from olive leaves Olea europaea, along with a glucoside, but this could not be substantiated. Olivin is found in olive. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 436.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-3-(4-hydroxy-3-methoxyphenyl)-2-methyl-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one |
| Nih Violation | False |
| Class | Linear 1,3-diarylpropanoids |
| Xlogp | 3.2 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | False |
| Subclass | Chalcones and dihydrochalcones |
| Molecular Formula | C17H16O6 |
| Inchi Key | MBDHLQKZIVIDEY-WEVVVXLNSA-N |
| Rotatable Bond Count | 4.0 |
| State | Solid |
| Synonyms | 2',4,4',6-Tetrahydroxy-3-methoxy-a-methylchalcone, 3-(4-Hydroxy-3-methoxyphenyl)-2-methyl-1-(2,4,6-trihydroxyphenyl)-2-propen-1-one |
| Compound Name | (E)-3-(4-hydroxy-3-methoxyphenyl)-2-methyl-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one |
| Kingdom | Organic compounds |
| Exact Mass | 316.095 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 316.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 316.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Inchi | InChI=1S/C17H16O6/c1-9(5-10-3-4-12(19)15(6-10)23-2)17(22)16-13(20)7-11(18)8-14(16)21/h3-8,18-21H,1-2H3/b9-5+ |
| Smiles | C/C(=C\C1=CC(=C(C=C1)O)OC)/C(=O)C2=C(C=C(C=C2O)O)O |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | 2'-Hydroxychalcones |
- 1. Outgoing r'ship
FOUND_INto/from Olea Europaea (Plant) Rel Props:Source_db:fooddb_chem_all