Lactucopicrin-15-oxalate
Showing entry for Lactucopicrin-15-oxalate
Identification
- PhytoHub ID
- PHUB002885
- Name
- Lactucopicrin-15-oxalate
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- 303130-75-8
- Average Mass
- 482.441
- Monoisotopic Mass
- 482.121296908
- Chemical Formula
- C25H22O10
- IUPAC Name
- Not Available
- InChI Key
- AUULYUITRYGGJX-UHFFFAOYNA-N
- InChI Identifier
InChI=1/C25H22O10/c1-11-7-17(34-18(28)8-13-3-5-15(26)6-4-13)20-12(2)24(31)35-22(20)21-14(9-16(27)19(11)21)10-33-25(32)23(29)30/h3-6,9,17,20-22,26H,2,7-8,10H2,1H3,(H,29,30)
- SMILES
CC1=C2C(C3OC(=O)C(=C)C3C(C1)OC(=O)CC1=CC=C(O)C=C1)C(COC(=O)C(O)=O)=CC2=O
- Structure
Structure for Lactucopicrin-15-oxalate
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 | |
|---|---|---|---|---|
| Lactucopicrin-15-oxalate | Terpenoid metabolites | Sesquiterpenoid metabolites | 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)
No food source information available of its precursor(s)
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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Lactucopicrin-15-oxalate | Lactucopicrin-15-oxalate | Not Available | Not Available | Not Available | Not Available | Not Available | Not Available | C25H22O10 | 482.121296908 | Detailed Intervention Studies | |||
| Lactucopicrin-15-oxalate | Lactucopicrin-15-oxalate glucuronide | Not Available | Not Available | Not Available | Not Available | Not Available | Not Available | C31H30O16 | Detailed Intervention Studies |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|