Micromelin
Basic information
- CAS
15085-71-9- Standard SMILES
COc1cc2oc(=O)ccc2cc1[C@@H]1OC(=O)[C@@]2(C)O[C@@H]12- InChIKey
VIORQNDMAWQQCV-YDHLFZDLSA-N- Molecular formula
- C15H12O6
- Average molar mass
- 288.25 g/mol
- Monoisotopic mass
- 288.0633881
Overview
Micromelin is a member of coumarins.
Names & identifiers
- Preferred name
- Micromelin
- IUPAC
- 7-methoxy-6-[(1S,2S,5S)-5-methyl-4-oxo-3,6-dioxabicyclo[3.1.0]hexan-2-yl]chromen-2-one
- English name
- Micromelin
- Molecular formula
- C15H12O6
- Molecular weight
- 288.25
Names & synonyms
Micromelin15085-71-9NSC 281267NSC 771497-methoxy-6-[(1S,2S,5S)-5-methyl-4-oxo-3,6-dioxabicyclo[3.1.0]hexan-2-yl]chromen-2-one3,6-Dioxobicyclo(3.1.0)hexan-2-one, 4-(7-methoxy-2-oxo-2H-1-benzopyran-6-yl)-1-methyl-, (1alpha,4alpha,5alpha)-7-methoxy-6-[(1S,4S,5S)-1-methyl-2-oxo-3,6-dioxabicyclo[3.1.0]hexan-4-yl]chromen-2-one7-methoxy-6-((1S,2S,5S)-5-methyl-4-oxo-3,6-dioxabicyclo(3.1.0)hexan-2-yl)chromen-2-one7-Methoxy-6-((1R,2R,5R)-5-methyl-4-oxo-3,6-dioxabicyclo(3.1.0)hexan-2-yl)-2H-chromen-2-one7-Methoxy-6-[(1R,2R,5R)-5-methyl-4-oxo-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-2H-chromen-2-oneRefChem:1586747-methoxy-6-((1S,4S,5S)-1-methyl-2-oxo-3,6-dioxabicyclo(3.1.0)hexan-4-yl)chromen-2-one
Show more names
3,6-Dioxabicyclo[3.1.0]hexan-2-one,4-(7-methoxy-2-oxo-2H-1-benzopyran-6-yl)-1-methyl-, (1R,4R,5R)-rel-
MicromeluminNSC-77149NSC-281267Y5TNN94SFQCHEBI:6929SCHEMBL27879479DTXSID10934105HY-N3258
Database identifiers
- CAS
15085-71-9- PubChem CID
- 73230
- DTXSID
DTXSID10934105- ChEBI
CHEBI:6929- UNII
- Y5TNN94SFQ
- Nikkaji
- J239.142B
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 74.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 528
Physicochemical properties
- Melting point
- 218 · 218-219 °C
- Boiling point
- 513 · 513.0±50.0 °C(Predicted)
- Density
- 1.465 · 1.465±0.06 g/cm3(Predicted)
Chemistry & industry
Applications
UsesMicromelin is a coumarin from Micromelum minutum (Forst. f.) Seem (family Rutaceae)[1].
Additional notes
DefinitionChEBI: Micromelin is a member of coumarins.
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Compound notes
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