Secoisolariciresinol diglucoside
precursor
Showing entry for Secoisolariciresinol diglucoside
Identification
- PhytoHub ID
- PHUB002967
- Name
- Secoisolariciresinol diglucoside
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 686.704
- Monoisotopic Mass
- 686.278585401
- Chemical Formula
- C32H46O16
- IUPAC Name
- Not Available
- InChI Key
- SBVBJPHMDABKJV-GPVSADJTNA-N
- InChI Identifier
InChI=1/C32H46O16/c1-43-21-9-15(3-5-19(21)35)7-17(13-45-31-29(41)27(39)25(37)23(11-33)47-31)18(8-16-4-6-20(36)22(10-16)44-2)14-46-32-30(42)28(40)26(38)24(12-34)48-32/h3-6,9-10,17-18,23-42H,7-8,11-14H2,1-2H3/t17-,18-,23+,24+,25+,26+,27-,28-,29+,30+,31+,32?/s2
- SMILES
COC1=C(O)C=CC(C[C@@H](COC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC2=CC(OC)=C(O)C=C2)=C1
- Structure
Structure for Secoisolariciresinol diglucoside
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 Food Phytochemical
- Family
- Polyphenols
- Class
- Lignans
- Sub-class
- Not Available
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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Secoisolariciresinol diglucoside | Enterodiol | Not Available | Not Available | Not Available | Not Available | Not Available | Not Available | C18H22O4 | 302.151809188 | Detailed Intervention Studies | |||
| Secoisolariciresinol diglucoside | Enterolactone | Not Available | Not Available | Not Available | Not Available | Not Available | Not Available | C18H18O4 | 298.12050906 | Detailed Intervention Studies | |||
| Secoisolariciresinol diglucoside | (+)-Matairesinol | Not Available | Not Available | Not Available | Not Available | Not Available | Not Available | C20H22O6 | 358.141638428 | Detailed Intervention Studies |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|