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 Phytohub
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