Myrigalone H
PubChem CID: 10085385
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| Compound Synonyms | Myrigalone H, 2',4'-Dihydroxy-6'-methoxy-3'-methyldihydrochalcone, 1-(2,4-Dihydroxy-6-methoxy-3-methylphenyl)-3-phenyl-1-propanone, Rilmenidene, N-(DICYCLOPROPYLMETHYL)-4,5-DIHYDRO-2-OXAZOLAMINE, CHEBI:168473, DTXSID401174121, LMPK12120492, 143502-00-5, 2-((Dicyclopropylmethyl)imino)-Oxazolidine, 1,1-Dicyclopropyl-N-(2-oxazolinyl)-Methylamine, 4,5-Dihydro-N-(dicyclopropylmethyl)-2-Oxazolamine, 1-(2,4-dihydroxy-6-methoxy-3-methylphenyl)-3-phenylpropan-1-one |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Description | Constituent of the fruit of Myrica gale (bog myrtle). Myrigalone H is found in herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 338.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(2,4-dihydroxy-6-methoxy-3-methylphenyl)-3-phenylpropan-1-one |
| Prediction Hob | 1.0 |
| Class | Linear 1,3-diarylpropanoids |
| Xlogp | 3.7 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | Chalcones and dihydrochalcones |
| Molecular Formula | C17H18O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZDJYWPQCNAPESX-UHFFFAOYSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -3.514 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.222 |
| Synonyms | 1-(2,4-Dihydroxy-6-methoxy-3-methylphenyl)-3-phenyl-1-propanone, 1,1-Dicyclopropyl-N-(2-oxazolinyl)-methylamine, 2-((Dicyclopropylmethyl)amino)-2-oxazoline, 2-((Dicyclopropylmethyl)imino)-oxazolidine, 2-((Dicyclopropylmethyl)imino)oxazolidine, 2-(Dicyclopropylmethylamino)-2-oxazoline, 2-(N-(dicyclopropylmethyl)amino)oxazoline, 2-(N-(Dicyclopropylmethyl)amino)oxazoline ate salt, 2-(N-(dicyclopropylmethyl)amino)oxazoline phosphate salt, 2-Oxazolamine, 4,5-dihydro-N-(dicyclopropylmethyl)-, 2-Oxazolamine, N-(dicyclopropylmethyl)-4,5-dihydro-, 2',4'-Dihydroxy-6'-methoxy-3'-methyldihydrochalcone, 4,5-dihydro-N-(Dicyclopropylmethyl)-2-oxazolamine, Methylamine, 1,1-dicyclopropyl-N-(2-oxazolinyl)-, Myrigalone H, N-(Dicyclopropylmethyl)-4,5-dihydro-1,3-oxazol-2-amine, N-(Dicyclopropylmethyl)-4,5-dihydro-2-oxazolamine, N-(Dicyclopropylmethyl)-4,5-dihydrooxazol-2-amine, Oxaminozoline, Oxaminozoline hemifumarate salt, Oxazolidine, 2-((dicyclopropylmethyl)imino)-, Rilmenidene, Rilmenidene hemifumarate salt, Rilmenidia, Rilmenidine, Rilmenidine [inn], Rilmenidine hemifumarate, Rilmenidine hemifumarate salt, Rilmenidinum |
| Substituent Name | Chalcone or dihydrochalcone, Cinnamylphenol, 2'-hydroxy-dihydrochalcone, Butyrophenone, Acylphloroglucinol derivative, Methoxyphenol, Nitrotoluene, Phloroglucinol derivative, Benzenetriol, Acetophenone, Methoxybenzene, Aryl alkyl ketone, Aryl ketone, Resorcinol, Phenol ether, O-cresol, Benzoyl, Anisole, Toluene, Phenol, Alkyl aryl ether, Benzenoid, Monocyclic benzene moiety, Vinylogous acid, Ketone, Ether, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aromatic homomonocyclic compound |
| Compound Name | Myrigalone H |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 286.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 286.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.020184542857143 |
| Inchi | InChI=1S/C17H18O4/c1-11-14(19)10-15(21-2)16(17(11)20)13(18)9-8-12-6-4-3-5-7-12/h3-7,10,19-20H,8-9H2,1-2H3 |
| Smiles | CC1=C(C(=C(C=C1O)OC)C(=O)CCC2=CC=CC=C2)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Syzygium Samarangense (Plant) Rel Props:Source_db:cmaup_ingredients