Secoisolariciresinol
precursor
Showing entry for Secoisolariciresinol
Identification
- PhytoHub ID
- PHUB001385
- Name
- Secoisolariciresinol
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 362.422
- Monoisotopic Mass
- 362.172938557
- Chemical Formula
- C20H26O6
- IUPAC Name
- (2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]butane-1,4-diol
- InChI Key
- PUETUDUXMCLALY-MNSHXRSINA-N
- InChI Identifier
InChI=1/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3/t15-,16-/s2
- SMILES
COC1=C(O)C=CC(C[C@@H](CO)[C@H](CO)CC2=CC(OC)=C(O)C=C2)=C1
- Structure
Structure for Secoisolariciresinol
Calculated Properties
- Solubility (ALOGPS)
- Not Available
- LogS (ALOGPS)
- Not Available
- LogP (ALOGPS)
- Not Available
- Hydrogen Acceptors
- 6
- Hydrogen Donors
- 4
- Rotatable Bond Count
- 9
- Polar Surface Area
- 99.38000000000001
- Refractivity
- 99.287
- Polarizability
- 38.645028122138655
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -2.6032091933503647
- pKa (strongest acidic)
- 9.963198441804694
- Number of Rings
- 2
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- ChEBI
- 65004
- PubChem
- 65373
- Chemistry Dashboard
- DTXSID50183615
- MetaboLights
- MTBLC65004
- FooDB (Compounds)
- FDB021314
Taxonomy as Food Phytochemical
- Family
- Polyphenols
- Class
- Lignans
- Sub-class
- Not Available
Spectra from Online Resources
No spectra information available
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Apricot | Fruit, Drupes | Publications | Show | |
| Asparagus | Vegetables, Other vegetables | Publications | Show | |
| Broccoli | Vegetables, Cabbages | Publications | Show | |
| Brussel sprouts | Vegetables, Cabbages | Publications | Show | |
| Capers | Herbs and Spices | Publications | Show | |
| Carrot | Vegetables, Root vegetables | Publications | Show | |
| Cocoa powder | Cocoa and cocoa products | Publications | Show | |
| Common oregano | Herbs and Spices | Publications | Show | |
| Cucumber | Vegetables, Gourds | Publications | Show | |
| Flaxseed | Oilseed crops | Publications | Show | |
| Garlic | Vegetables, Onion-family | Publications | Show | |
| Ginger | Herbs and Spices | Publications | Show | |
| Grapefruit | Fruit, Citrus | Publications | Show | |
| Kiwi | Fruit, Tropical fruits | Publications | Show | |
| Multigrain bread | Cereals and cereal products | Publications | Show | |
| Olive, green | Fruit, Drupes | Publications | Show | |
| Rose hip | Herbs and Spices | Publications | Show | |
| Rye | Cereals and cereal products | Publications | Show | |
| Sweet basil | Herbs and Spices | 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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Secoisolariciresinol | Secoisolariciresinol | Not Available | Not Available | Not Available | Not Available | Not Available | Not Available | C20H26O6 | 362.172938557 | Detailed Intervention Studies | |||
| Secoisolariciresinol | Enterodiol | human | blood, urine | gut microbiota metabolite | Not Available | Not Available | Not Available | C18H22O4 | 302.151809188 | Publications | |||
| Secoisolariciresinol | Enterolactone | human | blood, urine | gut microbiota metabolite | Not Available | Not Available | Not Available | C18H18O4 | 298.12050906 | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|