Enterolactone
Showing entry for Enterolactone
Identification
- PhytoHub ID
- PHUB001387
- Name
- Enterolactone
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 298.338
- Monoisotopic Mass
- 298.12050906
- Chemical Formula
- C18H18O4
- IUPAC Name
- (3S,4S)-3,4-bis[(3-hydroxyphenyl)methyl]oxolan-2-one
- InChI Key
- HVDGDHBAMCBBLR-PBHICJAKSA-N
- InChI Identifier
InChI=1S/C18H18O4/c19-15-5-1-3-12(8-15)7-14-11-22-18(21)17(14)10-13-4-2-6-16(20)9-13/h1-6,8-9,14,17,19-20H,7,10-11H2/t14-,17+/m1/s1
- SMILES
OC1=CC=CC(C[C@@H]2COC(=O)[C@H]2CC2=CC(O)=CC=C2)=C1
- Structure
Structure for Enterolactone
Calculated Properties
- Solubility (ALOGPS)
- Not Available
- LogS (ALOGPS)
- Not Available
- LogP (ALOGPS)
- Not Available
- Hydrogen Acceptors
- 3
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 4
- Polar Surface Area
- 66.76
- Refractivity
- 82.70800000000001
- Polarizability
- 30.942419359849175
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -5.964043636668341
- pKa (strongest acidic)
- 9.163039070788626
- Number of Rings
- 3
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
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 |
| 7-Hydroxymatairesinol | Polyphenols | Lignans | Not Available | Show Food Phytochemical |
| Strawberry Secoiridoids | Not Available | 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