(Epi)catechin
Showing entry for (Epi)catechin
Identification
- PhytoHub ID
- PHUB001241
- Name
- (Epi)catechin
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 290.271
- Monoisotopic Mass
- 290.079038171
- Chemical Formula
- C15H14O6
- IUPAC Name
- 2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
- InChI Key
- PFTAWBLQPZVEMU-UHFFFAOYNA-N
- InChI Identifier
InChI=1/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
- SMILES
OC1CC2=C(O)C=C(O)C=C2OC1C1=CC(O)=C(O)C=C1
- Structure
Structure for (Epi)catechin
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
- 73.99970000000002
- Polarizability
- 28.723499940658616
- 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
Taxonomy as Metabolite
- Family
- Polyphenols
- Class
- Flavonoids
- Sub-class
- Flavanols
Taxonomy of its Precursor(s)
| Precursor | Family | Class | Sub-class | |
|---|---|---|---|---|
| Procyanidin dimer B2 | Polyphenols | Flavonoids | Flavanols | Show Precursor |
| Procyanidin dimer B5 | Polyphenols | Flavonoids | Flavanols | Show Precursor |
Spectra from Online Resources
No spectra information available
Food Sources
No food source information available
Food Sources of its Precursor(s)
| Precursor | Food Source | Food Source Group | |||
|---|---|---|---|---|---|
| Procyanidin dimer B2 | Apple | Fruit, Pomes | Publications | Show | |
| Procyanidin dimer B5 | Apple | Fruit, Pomes | Publications | Show | |
| Procyanidin dimer B2 | Apple cider | Beverages, Alcoholic | Publications | Show | |
| Procyanidin dimer B2 | Apple juice | Beverages, Non-alcoholic | Publications | Show | |
| Procyanidin dimer B2 | Apricot | Fruit, Drupes | Publications | Show | |
| Procyanidin dimer B2 | Black tea | Teas and herbal teas | Publications | Show | |
| Procyanidin dimer B2 | Blackberry | Fruit, Berries | Publications | Show | |
| Procyanidin dimer B2 | Cocoa | Cocoa and cocoa products | Publications | Show | |
| Procyanidin dimer B5 | Cocoa | Cocoa and cocoa products | Publications | Show | |
| Procyanidin dimer B2 | Cocoa bean | Cocoa and cocoa products | Publications | Show | |
| Procyanidin dimer B5 | Cocoa bean | Cocoa and cocoa products | Publications | Show | |
| Procyanidin dimer B2 | Green tea | Teas and herbal teas | Publications | Show |
Metabolism
| Precursor | Metabolite | Species | Biofluids | Origin | TMax | CMax | Urinary Excretion | Formula | Monoisotopic mass | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Procyanidin dimer B2 | (Epi)catechin | human | plasma | unknown | Not Available | Not Available | Not Available | C15H14O6 | 290.079038171 | Publications | |||
| Procyanidin dimer B5 | (Epi)catechin | human | plasma | host metabolism | Not Available | Not Available | Not Available | C15H14O6 | 290.079038171 | Publications |
Inter-Individual Variations Metabolism
No data on inter-individual variations available