Basic information
- CAS
39986-86-2- Standard SMILES
COc1cc(/C=C/c2ccc(O)cc2)oc(=O)c1- InChIKey
VWYHYOYHRIWSJU-QPJJXVBHSA-N- Molecular formula
- C14H12O4
- Average molar mass
- 244.24 g/mol
- Monoisotopic mass
- 244.07355886
Overview
4'-Hydroxy-5,6-dehydrokawain has been reported in Alpinia blepharocalyx, Anaphalis sinica, and Alpinia roxburghii with data available.
Names & identifiers
- Preferred name
- 4'-Hydroxydehydrokawain
- IUPAC
- 6-[(E)-2-(4-hydroxyphenyl)ethenyl]-4-methoxypyran-2-one
- English name
- p-Hydroxy-5,6-dehydrokawain
- Molecular formula
- C14H12O4
- Molecular weight
- 244.24
Names & synonyms
39986-86-24'-Hydroxydehydrokawain6-[(e)-2-(4-hydroxyphenyl)ethenyl]-4-methoxypyran-2-oneDTXSID101930382H-Pyran-2-one, 6-(2-(4-hydroxyphenyl)ethenyl)-4-methoxy-, (E)-6-((E)-2-(4-hydroxyphenyl)ethenyl)-4-methoxypyran-2-oneRefChem:96010DTXCID20115529P-HYDROXY-5,6-DEHYDROKAWAIN(E)-6-(4-Hydroxystyryl)-4-methoxy-2H-pyran-2-one4/'-Hydroxy-5,6-dehydrokawainCHEMBL464111
Show more names
4'-Hydroxy-5,6-dehydrokawain6-(4'-Hydroxystyryl)-4-methoxy-2-pyronep-Hydroxy-5,6-dehydrokawain, 10 mM in DMSO2H-Pyran-2-one, 6-[(1E)-2-(4-hydroxyphenyl)ethenyl]-4-methoxy-p Hydroxy 5,6 dehydrokawain,inhibit,Inhibitor,pHydroxy5,6dehydrokawain
orb1297253SCHEMBL90162666-[(1E)-2-(4-hydroxyphenyl)ethenyl]-4-methoxy-2H-pyran-2-oneHY-N1899MFCD01861496TN2029AKOS030537194EBC-617750
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 398
Physicochemical properties
- Melting point
- 276 · 276-278 °C
- Boiling point
- 493 · 493.0±45.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- 10 · 10.00±0.26(Predicted)
- LogP
- 1.621 · 1.621 (est)
Chemistry & industry
Applications
Usesp-Hydroxy-5,6-dehydrokawain is a natural compound isolated from Kawain[1].
Suppliers39 total
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
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上海萄普生物医药技术有限公司15900573766 18018507602 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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