Cyanidin 3-(caffeoyl-sophoroside) 5-glucoside
precursor
Showing entry for Cyanidin 3-(caffeoyl-sophoroside) 5-glucoside
Identification
- PhytoHub ID
- PHUB002688
- Name
- Cyanidin 3-(caffeoyl-sophoroside) 5-glucoside
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 935.813
- Monoisotopic Mass
- 935.245178814
- Chemical Formula
- C42H47O24
- IUPAC Name
- Not Available
- InChI Key
- YZJPIJNLTTVHHD-GXKMNUNHSA-O
- InChI Identifier
InChI=1S/C42H46O24/c43-12-26-30(51)33(54)36(57)40(63-26)61-24-10-17(45)9-23-18(24)11-25(38(60-23)16-3-5-20(47)22(49)8-16)62-42-39(35(56)31(52)27(13-44)64-42)66-41-37(58)34(55)32(53)28(65-41)14-59-29(50)6-2-15-1-4-19(46)21(48)7-15/h1-11,26-28,30-37,39-44,51-58H,12-14H2,(H4-,45,46,47,48,49,50)/p+1/t26-,27-,28-,30-,31-,32-,33+,34+,35+,36-,37-,39-,40-,41+,42-/m1/s1
- SMILES
OC[C@H]1O[C@@H](OC2=CC(O)=CC3=C2C=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](COC(=O)\C=C\C4=CC=C(O)C(O)=C4)[C@@H](O)[C@H](O)[C@H]2O)C(=[O+]3)C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
- Structure
Structure for Cyanidin 3-(caffeoyl-sophoroside) 5-glucoside
Calculated Properties
- Solubility (ALOGPS)
- 8.59e-01 g/l
- LogS (ALOGPS)
- -3.05
- LogP (ALOGPS)
- 1.21
- 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 Online Resources
No spectra information available
Spectra from Phytohub
|
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-(caffeoyl-sophoroside) 5-glucoside | Cyanidin 3-(caffeoyl-sophoroside) 5-glucoside | human | urine | unchanged | No data | No data | Not Available | C42H47O24 | 935.245178814 | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value | |||
|---|---|---|---|---|---|---|
| Cyanidin 3-(caffeoyl-sophoroside) 5-glucoside | Cyanidin 3-(caffeoyl-sophoroside) 5-glucoside | Age | Not studied | |||
| Cyanidin 3-(caffeoyl-sophoroside) 5-glucoside | Cyanidin 3-(caffeoyl-sophoroside) 5-glucoside | Bmi | Not studied | |||
| Cyanidin 3-(caffeoyl-sophoroside) 5-glucoside | Cyanidin 3-(caffeoyl-sophoroside) 5-glucoside | Ethnicity | Not studied | |||
| Cyanidin 3-(caffeoyl-sophoroside) 5-glucoside | Cyanidin 3-(caffeoyl-sophoroside) 5-glucoside | Genotype | Not studied | |||
| Cyanidin 3-(caffeoyl-sophoroside) 5-glucoside | Cyanidin 3-(caffeoyl-sophoroside) 5-glucoside | Health_status | Not studied | |||
| Cyanidin 3-(caffeoyl-sophoroside) 5-glucoside | Cyanidin 3-(caffeoyl-sophoroside) 5-glucoside | Microbiota | Not studied | |||
| Cyanidin 3-(caffeoyl-sophoroside) 5-glucoside | Cyanidin 3-(caffeoyl-sophoroside) 5-glucoside | Sex | Not studied | |||
| Cyanidin 3-(caffeoyl-sophoroside) 5-glucoside | Cyanidin 3-(caffeoyl-sophoroside) 5-glucoside | Smoking | Not studied |