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
secoisolariciresinol
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[[email protected]@H](CO)[[email protected]](CO)CC2=CC(OC)=C(O)C=C2)=C1
Structure

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

Taxonomy

Family
Polyphenols
Class
Lignans
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

NameGroup
ApricotFruit, Drupes PublicationsShow
AsparagusVegetables, Other vegetables PublicationsShow
BroccoliVegetables, Cabbages PublicationsShow
Brussel sproutsVegetables, Cabbages PublicationsShow
CapersHerbs and Spices PublicationsShow
CarrotVegetables, Root vegetables PublicationsShow
Cocoa powderCocoa and cocoa products PublicationsShow
Common oreganoHerbs and Spices PublicationsShow
CucumberVegetables, Gourds PublicationsShow
FlaxseedOilseed crops PublicationsShow
GarlicVegetables, Onion-family PublicationsShow
GingerHerbs and Spices PublicationsShow
GrapefruitFruit, Citrus PublicationsShow
KiwiFruit, Tropical fruits PublicationsShow
Multigrain breadCereals and cereal products PublicationsShow
Olive, greenFruit, Drupes PublicationsShow
Rose hipHerbs and Spices PublicationsShow
RyeCereals and cereal products PublicationsShow
Sweet basilHerbs and Spices PublicationsShow
Sweet orangeFruit, Citrus PublicationsShow

Metabolism

PrecursorMetaboliteSpeciesBiofluidsOriginFormulaMonoisotopic mass
Secoisolariciresinol Enterodiolhumanblood, urinegut microbiota metaboliteC18H22O4302.151809188 Publications
Secoisolariciresinol Enterolactonehumanblood, urinegut microbiota metaboliteC18H18O4298.12050906 Publications
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