Identification

PhytoHub ID
PHUB000268
Name
(+)-Gallocatechin
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
306.27
Monoisotopic Mass
306.073952791
Chemical Formula
C15H14O7
IUPAC Name
gallocatechol
InChI Key
XMOCLSLCDHWDHP-OPNJQGHXNA-N
InChI Identifier
InChI=1/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/s2
SMILES
O[[email protected]]1CC2=C(O)C=C(O)C=C2O[[email protected]@H]1C1=CC(O)=C(O)C(O)=C1
Structure

Calculated Properties

Solubility (ALOGPS)
8.71e-01 g/l
LogS (ALOGPS)
-2.55
LogP (ALOGPS)
0.71
Hydrogen Acceptors
7
Hydrogen Donors
6
Rotatable Bond Count
1
Polar Surface Area
130.61
Refractivity
75.9806
Polarizability
29.50209795996762
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-3.294998430960741
pKa (strongest acidic)
8.728532640650023
Number of Rings
3
Rule of Five
No
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Precursor

Family
Polyphenols
Class
Flavonoids
Sub-class
Flavanols

Spectra

Record IDSourceDescriptionView
ML000101MassBankLC-ESI-ITFT Spectrum - 50 % (nominal), unspecifiedView Spectra
ML000151MassBankLC-ESI-ITFT Spectrum - 50 % (nominal), unspecifiedView Spectra
OUF00224MassBankGC-EI-TOF Spectrum - -, unspecifiedView Spectra

Food Sources

NameGroup
Black teaTeas and herbal teas PublicationsShow
Green teaTeas and herbal teas PublicationsShow

Food Sources of its Precursor(s)

No food source information available of its precursor(s)

Metabolism

No metabolism information available

Inter-Individual Variations Metabolism

No inter-individual variations available

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