8-Deoxylactucin glucuronide
Showing entry for 8-Deoxylactucin glucuronide
Identification
- PhytoHub ID
- PHUB002860
- Name
- 8-Deoxylactucin glucuronide
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 436.413
- Monoisotopic Mass
- 436.136946973
- Chemical Formula
- C21H24O10
- IUPAC Name
- Not Available
- InChI Key
- CVUVAQDFJCOOPZ-UHFFFAOYNA-N
- InChI Identifier
InChI=1/C21H24O10/c1-7-3-4-10-8(2)20(28)30-17(10)13-9(5-11(22)12(7)13)6-29-21-16(25)14(23)15(24)18(31-21)19(26)27/h5,10,13-18,21,23-25H,2-4,6H2,1H3,(H,26,27)
- SMILES
CC1=C2C(C3OC(=O)C(=C)C3CC1)C(COC1OC(C(O)C(O)C1O)C(O)=O)=CC2=O
- Structure
Structure for 8-Deoxylactucin glucuronide
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 Metabolite
- Family
- Terpenoid metabolites
- Class
- Sesquiterpenoid metabolites
- Sub-class
- Not Available
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Deoxylactucin (8-) | Terpenoids | Sesquiterpenoids | Not Available | Show Food Phytochemical |
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
Food Sources
No food source information available
Food Sources of its Food Phytochemical(s)
| Food Phytochemical | Food Source | Food Source Group | |||
|---|---|---|---|---|---|
| Deoxylactucin (8-) | Chicory | Vegetables, Root vegetables | Publications | Show | |
| Deoxylactucin (8-) | Lettuce | Vegetables, Leaf vegetables | 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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Deoxylactucin (8-) | 8-Deoxylactucin glucuronide | Not Available | Not Available | Not Available | Not Available | Not Available | Not Available | C21H24O10 | 436.136946973 | Detailed Intervention Studies |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|