Peonidin
precursor
Showing entry for Peonidin
Identification
- PhytoHub ID
- PHUB001626
- Name
- Peonidin
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 301.273
- Monoisotopic Mass
- 301.070664559
- Chemical Formula
- C16H13O6
- IUPAC Name
- 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1lambda4-chromen-1-ylium
- InChI Key
- XFDQJKDGGOEYPI-UHFFFAOYSA-O
- InChI Identifier
InChI=1S/C16H12O6/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/h2-7H,1H3,(H3-,17,18,19,20)/p+1
- SMILES
COC1=CC(=CC=C1O)C1=[O+]C2=C(C=C1O)C(O)=CC(O)=C2
- Structure
Structure for Peonidin
Calculated Properties
- Solubility (ALOGPS)
- 2.38e-02 g/l
- LogS (ALOGPS)
- -4.15
- LogP (ALOGPS)
- 2.61
- Hydrogen Acceptors
- 6
- Hydrogen Donors
- 4
- Rotatable Bond Count
- 2
- Polar Surface Area
- 103.29000000000002
- Refractivity
- 88.59540000000001
- Polarizability
- 30.141700449679963
- Formal Charge
- 1
- Physiological Charge
- -1
- pKa (strongest basic)
- -4.90136353188422
- pKa (strongest acidic)
- 6.0123365353908715
- 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
- Anthocyanins
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Flavonoids
- Super-class
- Phenylpropanoids and polyketides
- Sub-class
- O-methylated flavonoids
- Direct Parent Name
- 3'-O-methylated flavonoids
- Alternative Parent Names
- ["1-benzopyrans", "1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "3-hydroxyflavonoids", "4'-hydroxyflavonoids", "5-hydroxyflavonoids", "7-hydroxyflavonoids", "Alkyl aryl ethers", "Anisoles", "Anthocyanidins", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Methoxybenzenes", "Methoxyphenols", "Organic cations", "Oxacyclic compounds", "Phenoxy compounds", "Polyols"]
- External Descriptor Annotations
- ["Anthocyanidins", "anthocyanidin cation"]
- Substituent Names
- ["1-benzopyran", "1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "3-hydroxyflavonoid", "3p-methoxyflavonoid-skeleton", "4'-hydroxyflavonoid", "5-hydroxyflavonoid", "7-hydroxyflavonoid", "Alkyl aryl ether", "Anisole", "Anthocyanidin", "Aromatic heteropolycyclic compound", "Benzenoid", "Benzopyran", "Ether", "Heteroaromatic compound", "Hydrocarbon derivative", "Hydroxyflavonoid", "Methoxybenzene", "Methoxyphenol", "Monocyclic benzene moiety", "Organic cation", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Phenol", "Phenol ether", "Phenoxy compound", "Polyol"]
Spectra from Online Resources
No spectra information available
Spectra from Phytohub
|
Food Sources
No food source information available
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
| Food Phytochemical | Metabolite | Species | Biofluids | Origin | TMax | CMax | Urinary Excretion | Formula | Monoisotopic mass | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Peonidin | Peonidin glucuronide | human | plasma, urine | host metabolism | 1h-3h | <20 nmol/L | <1% | C23H23O12 | 491.4289566 | Detailed Intervention Studies | Publications | ||
| Peonidin | Peonidin | human | urine | unchanged | No data | No data | <1% | C16H13O6 | 301.070664559 | Detailed Intervention Studies | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value | |||
|---|---|---|---|---|---|---|
| Peonidin | Peonidin glucuronide | Age | Not studied | |||
| Peonidin | Peonidin glucuronide | Bmi | Not studied | |||
| Peonidin | Peonidin glucuronide | Ethnicity | Not studied | |||
| Peonidin | Peonidin glucuronide | Genotype | Not studied | |||
| Peonidin | Peonidin glucuronide | Health_status | Not studied | |||
| Peonidin | Peonidin glucuronide | Microbiota | Not studied | |||
| Peonidin | Peonidin glucuronide | Sex | Not studied | |||
| Peonidin | Peonidin glucuronide | Smoking | Not studied | |||
| Peonidin | Peonidin | Age | No effect | |||
| Peonidin | Peonidin | Bmi | No effect | |||
| Peonidin | Peonidin | Ethnicity | No effect | |||
| Peonidin | Peonidin | Genotype | No effect | |||
| Peonidin | Peonidin | Health_status | No effect | |||
| Peonidin | Peonidin | Microbiota | No effect | |||
| Peonidin | Peonidin | Sex | No effect | |||
| Peonidin | Peonidin | Smoking | No effect |