1,3-Dihydroxy-2,5,6-trimethoxy-10-methyl-9(10H)-acridinone
Basic information
- CAS
107259-49-4- Standard SMILES
COc1ccc2c(=O)c3c(O)c(OC)c(O)cc3n(C)c2c1OC- InChIKey
SMZNQRJKSRSJJH-UHFFFAOYSA-N- Molecular formula
- C17H17NO6
- Average molar mass
- 331.32 g/mol
- Monoisotopic mass
- 331.10558726
Overview
Atalafoline has been reported in Citrus maxima with data available.
Names & identifiers
- Preferred name
- 1,3-Dihydroxy-2,5,6-trimethoxy-10-methyl-9(10H)-acridinone
- IUPAC
- 1,3-dihydroxy-2,5,6-trimethoxy-10-methylacridin-9-one
- English name
- atalafoline
- Molecular formula
- C17H17NO6
- Molecular weight
- 331.32
Names & synonyms
Atalafoline107259-49-41,3-dihydroxy-2,5,6-trimethoxy-10-methylacridin-9-oneN-Methyl-1,3-dihydroxy-2,5,6-trimethoxyacridine-9-one1,3-Dihydroxy-2,5,6-trimethoxy-10-methyl-9(10H)-acridinoneDTXSID001479849(10H)-Acridinone, 1,3-dihydroxy-2,5,6-trimethoxy-10-methyl-RefChem:906883DTXCID2070475orb1680542SCHEMBL32681738HEA25949
Show more names
TN6200AKOS040763252F928061,3-Dihydroxy-2,5,6-trimethoxy-10-methylacridin-9(10H)-one
Database identifiers
- CAS
107259-49-4- PubChem CID
- 5487955
- DTXSID
DTXSID00147984
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 88.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 474
Physicochemical properties
- Melting point
- 155 · 155-158 °C(Solv: acetone (67-64-1))
- Boiling point
- 593.4 · 593.4±50.0 °C(Predicted)
- Density
- 1.366 · 1.366±0.06 g/cm3(Predicted)
- pka
- 6.89 · 6.89±0.20(Predicted)
Chemistry & industry
Applications
UsesAtalafoline is a natural product[1].
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Related reactions
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Compound notes
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