(+)-Epicatechin
precursor
Showing entry for (+)-Epicatechin
Identification
- PhytoHub ID
- PHUB002207
- Name
- (+)-Epicatechin
- Systematic Name
- (+)-Epicatechin
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 290.271
- Monoisotopic Mass
- 290.079038171
- Chemical Formula
- C15H14O6
- IUPAC Name
- (2S,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
- InChI Key
- PFTAWBLQPZVEMU-ZFWWWQNUSA-N
- InChI Identifier
InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m0/s1
- SMILES
O[C@H]1CC2=C(O)C=C(O)C=C2O[C@H]1C1=CC=C(O)C(O)=C1
- Structure
Structure for (+)-Epicatechin
Calculated Properties
- Solubility (ALOGPS)
- 6.45e-01 g/l
- LogS (ALOGPS)
- -2.65
- LogP (ALOGPS)
- 1.02
- Hydrogen Acceptors
- 6
- Hydrogen Donors
- 5
- Rotatable Bond Count
- 1
- Polar Surface Area
- 110.38000000000001
- Refractivity
- 73.9997
- Polarizability
- 28.106775622849472
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -3.2897193322428566
- pKa (strongest acidic)
- 9.004573813837975
- Number of Rings
- 3
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
No external links
Taxonomy as Food Phytochemical
- Family
- Polyphenols
- Class
- Flavonoids
- Sub-class
- Flavan-3-ols
Taxonomy as Metabolite
- Metabolite Family
- (Poly)phenol metabolites
- Metabolite Class
- Flavonoid metabolites
- Metabolite Sub-class
- Flavan-3-ols (parent and host metabolites)
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| (+)-Epicatechin | Polyphenols | Flavonoids | Flavan-3-ols | Show Food Phytochemical |
Spectra from Phytohub
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