Petunidin
precursor
Showing entry for Petunidin
Identification
- PhytoHub ID
- PHUB001419
- Name
- Petunidin
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 317.272
- Monoisotopic Mass
- 317.065579179
- Chemical Formula
- C16H13O7
- IUPAC Name
- Not Available
- InChI Key
- AFOLOMGWVXKIQL-UHFFFAOYSA-O
- InChI Identifier
InChI=1S/C16H12O7/c1-22-14-3-7(2-11(19)15(14)21)16-12(20)6-9-10(18)4-8(17)5-13(9)23-16/h2-6H,1H3,(H4-,17,18,19,20,21)/p+1
- SMILES
COC1=CC(=CC(O)=C1O)C1=[O+]C2=C(C=C1O)C(O)=CC(O)=C2
- Structure
Structure for Petunidin
Calculated Properties
- Solubility (ALOGPS)
- 4.16e-02 g/l
- LogS (ALOGPS)
- -3.93
- LogP (ALOGPS)
- 2.43
- Hydrogen Acceptors
- 7
- Hydrogen Donors
- 5
- Rotatable Bond Count
- 2
- Polar Surface Area
- 123.52000000000002
- Refractivity
- Not Available
- Polarizability
- Not Available
- Formal Charge
- Not Available
- Physiological Charge
- Not Available
- pKa (strongest basic)
- -4.912946742864687
- pKa (strongest acidic)
- 5.993087935324707
- Number of Rings
- Not Available
- Rule of Five
- No
- Bioavailability
- No
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- ChEBI
- 75318
- PubChem
- 441774
- MetaboLights
- MTBLC75318
- Phenol-Explorer
- 30
Taxonomy as Precursor
- Family
- Polyphenols
- Class
- Flavonoids
- Sub-class
- Anthocyanins
Taxonomy as Metabolite
- Metabolite Family
- Not Available
- Metabolite Class
- Not Available
- Metabolite Sub-class
- Not Available
Spectra
No spectra information available
Metabolism
| Precursor | Metabolite | Species | Biofluids | Origin | TMax | CMax | Urinary Excretion | Formula | Monoisotopic mass | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Petunidin | Petunidin glucuronide | human | plasma, urine | host metabolism | Not Available | Not Available | C22H21O13 | Detailed Intervention Studies | Publications |
Inter-Individual Variations Metabolism
| Precursor | Metabolite | Effect | Value | |||
|---|---|---|---|---|---|---|
| Petunidin | Petunidin glucuronide | BMI | Not studied | |||
| Petunidin | Petunidin glucuronide | Smoking | Not studied | |||
| Petunidin | Petunidin glucuronide | Ethnicity | Not studied | |||
| Petunidin | Petunidin glucuronide | Genotype | Not studied | |||
| Petunidin | Petunidin glucuronide | Microbiota | Not studied | |||
| Petunidin | Petunidin glucuronide | Sex | Not studied | |||
| Petunidin | Petunidin glucuronide | Age | Not studied | |||
| Petunidin | Petunidin glucuronide | Health-Status | Not studied |