Yangonin
PubChem CID: 5281575
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| Compound Synonyms | Yangonin, 500-62-9, 4-Methoxy-6-(p-methoxystyryl)-2H-pyran-2-one, 4-Methoxy-6-(beta-(p-anisyl)vinyl)-alpha-pyrone, 4-methoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyran-2-one, NSC 212502, UNII-R970U49V3C, CCRIS 9372, DTXSID4034102, (E)-4-Methoxy-6-(4-methoxystyryl)-2H-pyran-2-one, R970U49V3C, 2H-PYRAN-2-ONE, 4-METHOXY-6-(p-METHOXYSTYRYL)-, NSC-212502, DTXCID2014102, CHEBI:10089, 2H-Pyran-2-one, 4-methoxy-6-(2-(4-methoxyphenyl)ethenyl)-, (E)-, 5-Hydroxy-3-methoxy-7-(p-methoxyphenyl)-2,4,6-heptatrienoic acid gamma-lactone, NSC212502, 2H-Pyran-2-one, 4-methoxy-6-[(1E)-2-(4-methoxyphenyl)ethenyl]-, 4-methoxy-6-[(E)-2-(4-methoxyphenyl)vinyl]-2H-pyran-2-one, 4-METHOXY-6-((E)-2-(4-METHOXYPHENYL)ETHENYL)PYRAN-2-ONE, 2H-PYRAN-2-ONE, 4-METHOXY-6-((1E)-2-(4-METHOXYPHENYL)ETHENYL)-, 4-Methoxy-6-[2-(4-methoxyphenyl)ethenyl]-2H-pyran-2-one, Methoxyxerin, 2H-Pyran-2-one, 4-methoxy-6-[2-(4-methoxyphenyl)ethenyl]-, (E)-, MFCD00221733, Yangonin (Standard), YANGONIN [MI], UPCMLD-DP034, Yangonin, analytical standard, SCHEMBL1393965, CHEMBL1098658, UPCMLD-DP034:001, UPCMLD-DP034:002, HY-N0919R, XLHIYUYCSMZCCC-VMPITWQZSA-N, HMS3887I03, HY-N0919, Tox21_202547, NSC112160, s9413, AKOS022184639, CCG-208617, NSC-112160, NCGC00091909-01, NCGC00091909-03, NCGC00260096-01, 4-Methoxy-6-(4-methoxystyryl)-a-pyrone, AC-34333, CAS-500-62-9, DA-79028, FY137901, MS-23639, NS00017751, C09980, SR-05000002174, Q8048635, SR-05000002174-2, 4-Methoxy-6-(.beta.-(p-anisyl)vinyl)-.alpha.-pyrone, 4-Methoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-pyran-2-one, 4-Methoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-pyran-2-one #, 4-Methoxy-6-[2-(4-methoxyphenyl)ethenyl]-2H-pyran-2-one, 9CI, 5-Hydroxy-3-methoxy-7-(p-methoxyphenyl)-2,4,6-heptatrienoic acid .gamma.-lactone |
|---|---|
| Topological Polar Surface Area | 44.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Description | Found in kava root (Piper methysticum). FDA advises against use of kava in food due to potential risk of severe liver damage (2002) |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 412.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q99714, P55210, Q16637, P10636, P00352, P15428, P29466, P04637, P19793, P04150, P37231, Q96RI1, P35869, Q16236, Q9R1A7, P10145, P51449, O42275, P81908, P27695, n.a., P10275 |
| Iupac Name | 4-methoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyran-2-one |
| Prediction Hob | 1.0 |
| Class | Kavalactones |
| Target Id | NPT149, NPT1226, NPT93, NPT51, NPT94, NPT151, NPT277, NPT539 |
| Xlogp | 2.7 |
| Superclass | Phenylpropanoids and polyketides |
| Molecular Formula | C15H14O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XLHIYUYCSMZCCC-VMPITWQZSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -4.008 |
| Rotatable Bond Count | 4.0 |
| State | Solid |
| Logd | 3.074 |
| Synonyms | 2H-Pyran-2-one, 4-methoxy-6-(p-methoxystyryl)-, 4-Methoxy-6-(4-methoxystyryl)-a-pyrone, 4-Methoxy-6-(beta-(p-anisyl)vinyl)-alpha-pyrone, 4-Methoxy-6-(p-methoxystyryl)-2H-pyran-2-one, 4-methoxy-6-[(E)-2-(4-methoxyphenyl)vinyl]-2H-pyran-2-one, 4-Methoxy-6-[2-(4-methoxyphenyl)ethenyl]-2H-pyran-2-one, 4-Methoxy-6-[2-(4-methoxyphenyl)ethenyl]-2H-pyran-2-one, 9CI, 4-Methoxy-6-(beta-(P-anisyl)vinyl)-alpha-pyrone, 4-Methoxy-6-[(e)-2-(4-methoxyphenyl)vinyl]-2H-pyran-2-one, 4-Methoxy-6-[2-(4-methoxyphenyl)ethenyl]-2H-pyran-2-one, 9ci |
| Compound Name | Yangonin |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 258.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 258.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 258.269 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Esol | -1.7139610210526315 |
| Inchi | InChI=1S/C15H14O4/c1-17-12-6-3-11(4-7-12)5-8-13-9-14(18-2)10-15(16)19-13/h3-10H,1-2H3/b8-5+ |
| Smiles | COC1=CC=C(C=C1)/C=C/C2=CC(=CC(=O)O2)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Kavalactones |
- 1. Outgoing r'ship
FOUND_INto/from Dioscorea Collettii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Piper Methysticum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all