Heliannone A
PubChem CID: 5357345
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| Compound Synonyms | Heliannone A, 193411-10-8, 2',4-Dihydroxy-3',4'-dimethoxychalcone, 2-Propen-1-one, 1-(2-hydroxy-3,4-dimethoxyphenyl)-3-(4-hydroxyphenyl)-, (2E)-, (E)-1-(2-hydroxy-3,4-dimethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one, NSC75528, CHEBI:174862, DTXSID401317810, LMPK12120154, NSC-75528 |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Description | Constituent of Helianthus annuus (sunflower). Heliannone A is found in sunflower and fats and oils. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 387.0 |
| Database Name | fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-1-(2-hydroxy-3,4-dimethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one |
| Nih Violation | False |
| Class | Linear 1,3-diarylpropanoids |
| Xlogp | 3.5 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | False |
| Subclass | Chalcones and dihydrochalcones |
| Molecular Formula | C17H16O5 |
| Inchi Key | RURQJVCNVGERHF-WEVVVXLNSA-N |
| Rotatable Bond Count | 5.0 |
| Synonyms | 2',4-Dihydroxy-3',4'-dimethoxychalcone, Heliannone A |
| Substituent Name | Chalcone or dihydrochalcone, Cinnamylphenol, 2'-hydroxychalcone, Hydroxycinnamic acid or derivatives, Cinnamic acid or derivatives, O-dimethoxybenzene, Dimethoxybenzene, Methoxyphenol, Acetophenone, Methoxybenzene, Aryl ketone, Styrene, Phenol ether, Benzoyl, Anisole, Phenol, Alkyl aryl ether, Benzenoid, Monocyclic benzene moiety, Vinylogous acid, Alpha,beta-unsaturated ketone, Enone, Acryloyl-group, Ketone, Ether, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aromatic homomonocyclic compound |
| Compound Name | Heliannone A |
| Kingdom | Organic compounds |
| Exact Mass | 300.1 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 300.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 300.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C17H16O5/c1-21-15-10-8-13(16(20)17(15)22-2)14(19)9-5-11-3-6-12(18)7-4-11/h3-10,18,20H,1-2H3/b9-5+ |
| Smiles | COC1=C(C(=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)O)O)OC |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Helianthus Annuus (Plant) Rel Props:Source_db:fooddb_chem_all