metabolite

Showing entry for 4-Hydroxy-5-(3'-hydroxy- 4'-methoxyphenyl)valeric acid

Identification

PhytoHub ID
PHUB002781
Name
4-Hydroxy-5-(3'-hydroxy- 4'-methoxyphenyl)valeric acid
Systematic Name
4-Hydroxy-5-(3'-hydroxy- 4'-methoxyphenyl)valeric acid
Synonyms
Not Available
CAS Number
Not Available
Average Mass
240.255
Monoisotopic Mass
240.099773615
Chemical Formula
C12H16O5
IUPAC Name
Not Available
InChI Key
CFMJXTBZNIHBSJ-SECBINFHSA-N
InChI Identifier
InChI=1S/C12H16O5/c1-17-11-4-2-8(7-10(11)14)6-9(13)3-5-12(15)16/h2,4,7,9,13-14H,3,5-6H2,1H3,(H,15,16)/t9-/m1/s1
SMILES
COC1=CC=C(C[C@H](O)CCC(O)=O)C=C1O
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
Not Available
LogS (ALOGPS)
Not Available
LogP (ALOGPS)
Not Available
Hydrogen Acceptors
Not Available
Hydrogen Donors
Not Available
Rotatable Bond Count
Not Available
Polar Surface Area
Not Available
Refractivity
Not Available
Polarizability
Not Available
Formal Charge
Not Available
Physiological Charge
Not Available
pKa (strongest basic)
Not Available
pKa (strongest acidic)
Not Available
Number of Rings
Not Available
Rule of Five
No
Bioavailability
No
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Metabolite

Family
(Poly)phenol metabolites
Class
Flavonoid metabolites
Sub-class
Phenylvalerolactones and phenylvaleric acids

Spectra from Phytohub

Spectrum TypeInstrument TypeIon ModeCollision Energy LevelViewPeaks

Food Sources

No food source information available

Food Sources of its Food Phytochemical(s)

No food source information available of its precursor(s)

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

No metabolism information available

Inter-Individual Variations in Metabolism

No data on inter-individual variations available

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