Limonin Glucoside
precursor
Showing entry for Limonin Glucoside
Identification
- PhytoHub ID
- PHUB002584
- Name
- Limonin Glucoside
- Systematic Name
- Not Available
- Synonyms
- Glucosyl-limonin
- Limonin 17-beta-D-glucopyranoside
- Limonin 17-beta-D-glucoside
- limonin 17-β-D-glucoside
- β-D-glucosyl-limonin
- CAS Number
- 123564-61-4
- Average Mass
- 650.674
- Monoisotopic Mass
- 650.257456032
- Chemical Formula
- C32H42O14
- IUPAC Name
- Not Available
- InChI Key
- FYIKIBQJAJRKQM-LECQIBCFSA-N
- InChI Identifier
InChI=1S/C32H42O14/c1-28(2)17-9-18(34)30(4)16(31(17)13-42-20(35)10-19(31)45-28)5-7-29(3,32(30)25(46-32)26(39)40)24(14-6-8-41-12-14)44-27-23(38)22(37)21(36)15(11-33)43-27/h6,8,12,15-17,19,21-25,27,33,36-38H,5,7,9-11,13H2,1-4H3,(H,39,40)/t15?,16?,17?,19?,21?,22?,23?,24?,25?,27?,29-,30-,31+,32+/m0/s1
- SMILES
CC1(C)OC2CC(=O)OC[C@@]22C1CC(=O)[C@]1(C)C2CC[C@@](C)(C(OC2OC(CO)C(O)C(O)C2O)C2=COC=C2)[C@@]11OC1C(O)=O
- Structure
Structure for Limonin Glucoside
Calculated Properties
- Solubility (ALOGPS)
- 1.01e+00 g/l
- LogS (ALOGPS)
- -2.81
- LogP (ALOGPS)
- 1.07
- 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
Taxonomy as Food Phytochemical
- Family
- Terpenoids
- Class
- Triterpenoids
- Sub-class
- Limonoids
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Citrus fruits and Juices | Fruit, Citrus | Publications | Show | |
| Grapefruit | Fruit, Citrus | Publications | Show | |
| Mandarin orange (Clementine, Tangerine) | Fruit, Citrus | Publications | Show | |
| Sweet orange | Fruit, Citrus | Publications | Show |
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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Limonin Glucoside | Limonin | human | plasma | host metabolism | 5h-8h | <20 nmol/L | Not Available | C26H30O8 | 470.194067926 | Detailed Intervention Studies | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value | |||
|---|---|---|---|---|---|---|
| Limonin Glucoside | Limonin | Age | No effect | Publications | ||
| Limonin Glucoside | Limonin | Bmi | No effect | Publications | ||
| Limonin Glucoside | Limonin | Ethnicity | Not studied | |||
| Limonin Glucoside | Limonin | Genotype | Not studied | |||
| Limonin Glucoside | Limonin | Health_status | Not studied | |||
| Limonin Glucoside | Limonin | Microbiota | Not studied | |||
| Limonin Glucoside | Limonin | Sex | No effect | Publications | ||
| Limonin Glucoside | Limonin | Smoking | Not studied |