Cyanidin-3-o-(2′′-o-xylosyl)rutinoside
precursor
Showing entry for Cyanidin-3-o-(2′′-o-xylosyl)rutinoside
Identification
- PhytoHub ID
- PHUB002687
- Name
- Cyanidin-3-o-(2′′-o-xylosyl)rutinoside
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 757.67
- Monoisotopic Mass
- 757.21857014
- Chemical Formula
- C33H41O20
- IUPAC Name
- Not Available
- InChI Key
- MSUVUDCULKNUJL-UHFFFAOYNA-O
- InChI Identifier
InChI=1/C33H40O20/c1-10-21(39)24(42)27(45)31(48-10)47-9-20-23(41)26(44)30(53-32-28(46)25(43)22(40)19(8-34)51-32)33(52-20)50-18-7-13-15(37)5-12(35)6-17(13)49-29(18)11-2-3-14(36)16(38)4-11/h2-7,10,19-28,30-34,39-46H,8-9H2,1H3,(H3-,35,36,37,38)/p+1
- SMILES
CC1OC(OCC2OC(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC=C(O)C(O)=C3)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O
- Structure
Structure for Cyanidin-3-o-(2′′-o-xylosyl)rutinoside
Calculated Properties
- Solubility (ALOGPS)
- 4.16e+00 g/l
- LogS (ALOGPS)
- -2.28
- LogP (ALOGPS)
- -0.05
- 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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Cyanidin-3-o-(2′′-o-xylosyl)rutinoside | Cyanidin-3-o-(2′′-o-xylosyl)rutinoside | human | plasma | unchanged | No data | No data | Not Available | C33H41O20 | 757.21857014 | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value | |||
|---|---|---|---|---|---|---|
| Cyanidin-3-o-(2′′-o-xylosyl)rutinoside | Cyanidin-3-o-(2′′-o-xylosyl)rutinoside | Age | Not studied | |||
| Cyanidin-3-o-(2′′-o-xylosyl)rutinoside | Cyanidin-3-o-(2′′-o-xylosyl)rutinoside | Bmi | Not studied | |||
| Cyanidin-3-o-(2′′-o-xylosyl)rutinoside | Cyanidin-3-o-(2′′-o-xylosyl)rutinoside | Ethnicity | Not studied | |||
| Cyanidin-3-o-(2′′-o-xylosyl)rutinoside | Cyanidin-3-o-(2′′-o-xylosyl)rutinoside | Genotype | Not studied | |||
| Cyanidin-3-o-(2′′-o-xylosyl)rutinoside | Cyanidin-3-o-(2′′-o-xylosyl)rutinoside | Health_status | Not studied | |||
| Cyanidin-3-o-(2′′-o-xylosyl)rutinoside | Cyanidin-3-o-(2′′-o-xylosyl)rutinoside | Microbiota | Not studied | |||
| Cyanidin-3-o-(2′′-o-xylosyl)rutinoside | Cyanidin-3-o-(2′′-o-xylosyl)rutinoside | Sex | Not studied | |||
| Cyanidin-3-o-(2′′-o-xylosyl)rutinoside | Cyanidin-3-o-(2′′-o-xylosyl)rutinoside | Smoking | Not studied |