Peonidin 3-caffeoyl-sophoroside-5-glucoside
precursor
Showing entry for Peonidin 3-caffeoyl-sophoroside-5-glucoside
Identification
- PhytoHub ID
- PHUB002881
- Name
- Peonidin 3-caffeoyl-sophoroside-5-glucoside
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 949.84
- Monoisotopic Mass
- 949.260828878
- Chemical Formula
- C43H49O24
- IUPAC Name
- Not Available
- InChI Key
- DGVPBUDMTNUREK-UHFFFAOYNA-O
- InChI Identifier
InChI=1/C43H48O24/c1-59-25-9-17(4-6-21(25)48)39-26(12-19-23(61-39)10-18(46)11-24(19)62-41-37(57)34(54)31(51)27(13-44)64-41)63-43-40(67-42-38(58)35(55)32(52)28(14-45)65-42)36(56)33(53)29(66-43)15-60-30(50)7-3-16-2-5-20(47)22(49)8-16/h2-12,27-29,31-38,40-45,51-58H,13-15H2,1H3,(H3-,46,47,48,49,50)/p+1
- SMILES
COC1=C(O)C=CC(=C1)C1=C(OC2OC(COC(=O)C=CC3=CC(O)=C(O)C=C3)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C=C2C(OC3OC(CO)C(O)C(O)C3O)=CC(O)=CC2=[O+]1
- Structure
Structure for Peonidin 3-caffeoyl-sophoroside-5-glucoside
Calculated Properties
- Solubility (ALOGPS)
- Not Available
- LogS (ALOGPS)
- Not Available
- LogP (ALOGPS)
- Not Available
- Hydrogen Acceptors
- Not Available
- Hydrogen Donors
- Not Available
- Rotatable Bond Count
- Not Available
- Polar Surface Area
- Not Available
- Refractivity
- Not Available
- Polarizability
- Not Available
- Formal Charge
- Not Available
- Physiological Charge
- Not Available
- pKa (strongest basic)
- Not Available
- pKa (strongest acidic)
- Not Available
- Number of Rings
- Not Available
- Rule of Five
- No
- Bioavailability
- No
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
No external links
Taxonomy as Food Phytochemical
- Family
- Polyphenols
- Class
- Flavonoids
- Sub-class
- Anthocyanins
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
Food Sources
No food source information available
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
| Food Phytochemical | Metabolite | Species | Biofluids | Origin | TMax | CMax | Urinary Excretion | Formula | Monoisotopic mass | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Peonidin 3-caffeoyl-sophoroside-5-glucoside | Peonidin 3-caffeoyl-sophoroside-5-glucoside | human | urine | unchanged | No data | No data | Not Available | C43H49O24 | 949.260828878 | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value | |||
|---|---|---|---|---|---|---|
| Peonidin 3-caffeoyl-sophoroside-5-glucoside | Peonidin 3-caffeoyl-sophoroside-5-glucoside | Age | Not studied | |||
| Peonidin 3-caffeoyl-sophoroside-5-glucoside | Peonidin 3-caffeoyl-sophoroside-5-glucoside | Bmi | Not studied | |||
| Peonidin 3-caffeoyl-sophoroside-5-glucoside | Peonidin 3-caffeoyl-sophoroside-5-glucoside | Ethnicity | Not studied | |||
| Peonidin 3-caffeoyl-sophoroside-5-glucoside | Peonidin 3-caffeoyl-sophoroside-5-glucoside | Genotype | Not studied | |||
| Peonidin 3-caffeoyl-sophoroside-5-glucoside | Peonidin 3-caffeoyl-sophoroside-5-glucoside | Health_status | Not studied | |||
| Peonidin 3-caffeoyl-sophoroside-5-glucoside | Peonidin 3-caffeoyl-sophoroside-5-glucoside | Microbiota | Not studied | |||
| Peonidin 3-caffeoyl-sophoroside-5-glucoside | Peonidin 3-caffeoyl-sophoroside-5-glucoside | Sex | Not studied | |||
| Peonidin 3-caffeoyl-sophoroside-5-glucoside | Peonidin 3-caffeoyl-sophoroside-5-glucoside | Smoking | Not studied |