(+)-Gallocatechin
precursor
Showing entry for (+)-Gallocatechin
Identification
- PhytoHub ID
- PHUB000268
- Name
- (+)-Gallocatechin
- Systematic Name
- (+)-Gallocatechin
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 306.27
- Monoisotopic Mass
- 306.073952791
- Chemical Formula
- C15H14O7
- IUPAC Name
- (2R,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
- InChI Key
- XMOCLSLCDHWDHP-SWLSCSKDSA-N
- InChI Identifier
InChI=1S/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+/m0/s1
- SMILES
O[C@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C(O)=C1
- Structure
Structure for (+)-Gallocatechin
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 Food Phytochemical
- Family
- Polyphenols
- Class
- Flavonoids
- Sub-class
- Flavan-3-ols
Spectra from Phytohub
Food Sources
Role as Biomarker of intake
No roles as Biomarker of intake found