Identification

PhytoHub ID
PHUB002215
Name
3'-Methoxy-(+)-catechin
Systematic Name
3'-Methoxy-(+)-catechin
Synonyms
Not Available
CAS Number
Not Available
Average Mass
304.298
Monoisotopic Mass
304.094688235
Chemical Formula
C16H16O6
IUPAC Name
Not Available
InChI Key
NJHJXXLBWQXMRO-XJKSGUPXSA-N
InChI Identifier
InChI=1S/C16H16O6/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16/h2-6,13,16-20H,7H2,1H3/t13-,16+/m0/s1
SMILES
COC1=CC(=CC=C1O)[C@H]1OC2=C(C[C@@H]1O)C(O)=CC(O)=C2
Structure

Calculated Properties

Solubility (ALOGPS)
Not Available
LogS (ALOGPS)
Not Available
LogP (ALOGPS)
Not Available
Hydrogen Acceptors
6
Hydrogen Donors
4
Rotatable Bond Count
2
Polar Surface Area
99.38000000000001
Refractivity
78.482
Polarizability
30.62394172675843
Formal Charge
Not Available
Physiological Charge
Not Available
pKa (strongest basic)
-3.2899991857638278
pKa (strongest acidic)
9.307243628972145
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
Flavan-3-ols (parent and host metabolites)

Taxonomy of its Food Phytochemical Precursor(s)

Food PhytochemicalFamilyClassSub-class
(+)-CatechinPolyphenolsFlavonoidsFlavan-3-olsShow Food Phytochemical
(+)-EpicatechinPolyphenolsFlavonoidsFlavan-3-olsShow 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

Metabolism

Inter-Individual Variations in Metabolism

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