Myzodendrone
Basic information
- CAS
101705-37-7- Standard SMILES
CC(=O)CCc1ccc(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1- InChIKey
LMPCSMHAJDXHSV-IBEHDNSVSA-N- Molecular formula
- C16H22O8
- Average molar mass
- 342.34 g/mol
- Monoisotopic mass
- 342.13146766
Overview
an antioxidant and free radical scavenger; isolated from Misodendrum punctulatum; structure in first source
Names & identifiers
- Preferred name
- Myzodendrone
- IUPAC
- 4-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]butan-2-one
- English name
- Myzodendrone
- Molecular formula
- C16H22O8
- Molecular weight
- 342.34
Names & synonyms
Myzodendrone101705-37-72-Butanone, 4-(3-(beta-D-glucopyranosyloxy)-4-hydroxyphenyl)-4-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]butan-2-oneDTXSID601441312-Butanone, 4-[3-(beta-D-glucopyranosyloxy)-4-hydroxyphenyl]-4-(4-hydroxy-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyphenyl)butan-2-oneRefChem:926341DTXCID4066622orb1682057SCHEMBL8976232TN4609
Show more names
2-Butanone, 4-[3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl]-
CS-0149163F927452-Hydroxy-5-(3-oxobutyl)phenyl beta-D-glucopyranoside2-Butanone, 4-[3-(|A-D-glucopyranosyloxy)-4-hydroxyphenyl]-4-(4-Hydroxy-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)butan-2-one4-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]butan-2-one
Database identifiers
- CAS
101705-37-7- PubChem CID
- 181027
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 417
Physicochemical properties
- Boiling point
- 600.4 · 600.4±55.0 °C(Predicted)
- Density
- 1.439 · 1.439±0.06 g/cm3(Predicted)
- pka
- 9.32 · 9.32±0.45(Predicted)
Chemistry & industry
Applications
UsesMyzodendrone is a Phenols product that can be isolated from the flowering stems of Vitex agnus-castus.[1].
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…