Camelliaside C
Basic information
- CAS
152390-63-1- Standard SMILES
O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12- InChIKey
LKZDFKLGDGSGEO-MUKUJDNJSA-N- Molecular formula
- C27H30O16
- Average molar mass
- 610.5 g/mol
- Monoisotopic mass
- 610.15338487
Overview
Camelliaside C has been reported in Camellia sinensis and Meconopsis quintuplinervia with data available.
Names & identifiers
- Preferred name
- Camelliaside C
- IUPAC
- 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
- English name
- camelliaside C
- Molecular formula
- C27H30O16
- Molecular weight
- 610.52
Names & synonyms
Camelliaside C152390-63-1DTXSID501650123-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-oneKaempferol 3-O-beta-D-galactopyranosyl-(1-2)-beta-D-glucopyranoside3-((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxan-2-yl)oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-oneRefChem:123106DTXCID2087503LMPK121117303-((2-O-beta-D-Galactopyranosyl-beta-D-glucopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one4H-1-Benzopyran-4-one, 3-((2-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-2-Benzopyran-4-one, 3-((2-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-
Show more names
4H-1-Benzopyran-4-one, 3-[(2-O-β-D-galactopyranosyl-β-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl 2-O-beta-D-galactopyranosyl-beta-D-glucopyranosideKaempferol 3-O-beta-D-galactopyranosyl-(1-2)-beta-D-glucopyranoside; 2''-O-beta-D-Galactopyranosylastragalin
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 266 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 7
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,000
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
Physicochemical properties
- Melting point
- 200 · 200-202 °C(Solv: methanol (67-56-1))
- Boiling point
- 995 · 995.0±65.0 °C(Predicted)
- Density
- 1.82 · 1.82±0.1 g/cm3(Predicted)
- pka
- 6.2 · 6.20±0.40(Predicted)
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationCompounds that bind to and inhibit that enzymatic activity of LIPOXYGENASES. Included under this category are inhibitors that are specific for lipoxygenase subtypes and act to reduce the production of LEUKOTRIENES.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…