Basic information
- CAS
6826-42-2- Standard SMILES
CC=CCC(=O)c1c(O)ccc(O)c1O- InChIKey
WGGOBKYQLMXALJ-UHFFFAOYSA-N- Molecular formula
- C11H12O4
- Average molar mass
- 208.21 g/mol
- Monoisotopic mass
- 208.07355886
Names & identifiers
- Preferred name
- 1-(2,3,6-Trihydroxyphenyl)pent-3-en-1-one
- IUPAC
- 1-(2,3,6-trihydroxyphenyl)pent-3-en-1-one
- English name
- Maltoryzine
- Molecular formula
- C11H12O4
- Molecular weight
- 208.21
Names & synonyms
1-(2,3,6-trihydroxyphenyl)pent-3-en-1-oneSCHEMBL32678185SCHEMBL32678187DTXSID80987789MaltoryzinMALTORYZINEMaltoryzine Discontinued1-(2,3,6-Trihydroxyphenyl)-3-Pentenophenone, 2',3',6'-trihydroxy-1-(4-Pentenoyl)-2,3,6-trihydroxybenzene1-(2,3,6-Trihydroxyphenyl)-3-penten-1-one1-(Pent-3-en-1-one)-2,3,6-trihydroxybenzene
Show more names
3-Penten-1-one, 1-(2,3,6-trihydroxyphenyl)-(E)-1-(2,3,6-trihydroxyphenyl)pent-3-en-1-one
Database identifiers
- CAS
6826-42-2- PubChem CID
- 93041
- DTXSID
DTXSID80987789
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- Melting point
- 68.9 · 68.9-69.0 °C (decomp)
- Boiling point
- 400.7 · 400.7±45.0 °C(Predicted)
- Density
- 1.306 · 1.306
- pka
- 7.47 · 7.47±0.40(Predicted)
- LogP
- 3.36 · 3.360 (est)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 2 L109I97B6 · 2L109I97B6
Chemistry & industry
Applications
UsesA new toxic metabolite produced by a strain of Aspergillus oryzae var.
Suppliers3 total
凯试(上海)科技有限公司021-50135380 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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