Enterodiol
Showing entry for Enterodiol
Identification
- PhytoHub ID
- PHUB001386
- Name
- Enterodiol
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 302.37
- Monoisotopic Mass
- 302.151809188
- Chemical Formula
- C18H22O4
- IUPAC Name
- (2R,3R)-2,3-bis[(3-hydroxyphenyl)methyl]butane-1,4-diol
- InChI Key
- DWONJCNDULPHLV-HOTGVXAUSA-N
- InChI Identifier
InChI=1S/C18H22O4/c19-11-15(7-13-3-1-5-17(21)9-13)16(12-20)8-14-4-2-6-18(22)10-14/h1-6,9-10,15-16,19-22H,7-8,11-12H2/t15-,16-/m0/s1
- SMILES
OC[C@H](CC1=CC(O)=CC=C1)[C@H](CO)CC1=CC(O)=CC=C1
- Structure
Structure for Enterodiol
Calculated Properties
- Solubility (ALOGPS)
- Not Available
- LogS (ALOGPS)
- Not Available
- LogP (ALOGPS)
- Not Available
- Hydrogen Acceptors
- 4
- Hydrogen Donors
- 4
- Rotatable Bond Count
- 7
- Polar Surface Area
- 80.92
- Refractivity
- 86.3606
- Polarizability
- 32.783796183942016
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -2.603209181436301
- pKa (strongest acidic)
- 9.793418141582793
- Number of Rings
- 2
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- ChEBI
- 81556
- PubChem
- 115089
- Chemistry Dashboard
- DTXSID0047876
- Phenol-Explorer
- 1009
Taxonomy as Metabolite
- Family
- (Poly)phenol metabolites
- Class
- Lignan metabolites
- Sub-class
- Enterolignans
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Secoisolariciresinol | Polyphenols | Lignans | Not Available | Show Food Phytochemical |
| Secoisolariciresinol diglucoside | Polyphenols | Lignans | Not Available | Show Food Phytochemical |
| Flaxseed Secoiridoids | Not Available | Not Available | Show Food Phytochemical |
Spectra from Online Resources
No spectra information available
Food Sources
No food source information available
Food Sources of its Food Phytochemical(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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Secoisolariciresinol | Enterodiol | human | blood, urine | gut microbiota metabolite | Not Available | Not Available | Not Available | C18H22O4 | 302.151809188 | Publications | |||
| Secoisolariciresinol diglucoside | Enterodiol | Not Available | Not Available | Not Available | Not Available | Not Available | Not Available | C18H22O4 | 302.151809188 | Detailed Intervention Studies | |||
| Flaxseed Secoiridoids | Enterodiol | Not Available | Not Available | Not Available | Not Available | Not Available | Not Available | C18H22O4 | 302.151809188 | Detailed Intervention Studies |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|