Cyanidin
precursor
Showing entry for Cyanidin
Identification
- PhytoHub ID
- PHUB000483
- Name
- Cyanidin
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 287.246
- Monoisotopic Mass
- 287.055014494
- Chemical Formula
- C15H11O6
- IUPAC Name
- 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-1lambda4-chromen-1-ylium
- InChI Key
- VEVZSMAEJFVWIL-UHFFFAOYSA-O
- InChI Identifier
InChI=1S/C15H10O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-6H,(H4-,16,17,18,19,20)/p+1
- SMILES
OC1=CC(O)=C2C=C(O)C(=[O+]C2=C1)C1=CC(O)=C(O)C=C1
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 4.89e-02 g/l
- LogS (ALOGPS)
- -3.82
- LogP (ALOGPS)
- 2.41
- Hydrogen Acceptors
- 6
- Hydrogen Donors
- 5
- Rotatable Bond Count
- 1
- Polar Surface Area
- 114.29
- Refractivity
- 84.1131
- Polarizability
- 28.100296783256358
- Formal Charge
- 1
- Physiological Charge
- -1
- pKa (strongest basic)
- -5.871469355134586
- pKa (strongest acidic)
- 6.009911357059808
- Number of Rings
- 3
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- ChEBI
- 27843
- PubChem
- 128861
- Chemistry Dashboard
- DTXSID10157933
- KNApSAcK
- C00006614
- MetaboLights
- MTBLC27843
- Phenol-Explorer
- 19
- FooDB (Compounds)
- FDB002602
- PeakForestCompound
- 000398
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
- Hydroxyflavonoids
- Direct Parent Name
- 7-hydroxyflavonoids
- Alternative Parent Names
- ["1-benzopyrans", "1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "3'-hydroxyflavonoids", "3-hydroxyflavonoids", "4'-hydroxyflavonoids", "5-hydroxyflavonoids", "Anthocyanidins", "Benzene and substituted derivatives", "Catechols", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Organic cations", "Oxacyclic compounds", "Polyols"]
- External Descriptor Annotations
- ["Anthocyanidins", "Anthocyanidins and anthocyanins", "anthocyanidin cation"]
- Substituent Names
- ["1-benzopyran", "1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "3'-hydroxyflavonoid", "3-hydroxyflavonoid", "4'-hydroxyflavonoid", "5-hydroxyflavonoid", "7-hydroxyflavonoid", "Anthocyanidin", "Aromatic heteropolycyclic compound", "Benzenoid", "Benzopyran", "Catechol", "Heteroaromatic compound", "Hydrocarbon derivative", "Monocyclic benzene moiety", "Organic cation", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Phenol", "Polyol"]
Spectra from Online Resources
Record ID | Source | Description | View |
---|---|---|---|
PR040005 | MassBank | LC-ESI-QTOF Spectrum - 30 eV, [M]+ | View Spectra |
PR040006 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 eV, [M]+ | View Spectra |
PS039601 | ReSpect | N/A Spectrum - 10, [M+H]+ | View Spectra |
PS039602 | ReSpect | N/A Spectrum - 20, [M+H]+ | View Spectra |
PS039606 | ReSpect | N/A Spectrum - 60, [M+H]+ | View Spectra |
Food Sources
Name | Group | |||
---|---|---|---|---|
Acerola | Fruit, Tropical fruits | Publications | Show | |
Apple | Fruit, Pomes | Publications | Show | |
Bilberry | Fruit, Berries | Publications | Show |
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 | ||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cyanidin | Cyanidin | human | urine | unchanged | No data | No data | <1% | C15H11O6 | 287.055014494 | Detailed Intervention Studies | Publications | ||
Cyanidin | 3-(1-Carboxy-4-hydroxyphenyl)beta-D-glucuronic acid | Not Available | Not Available | Not Available | Not Available | Not Available | Not Available | C13H14O10 | 330.058696651 | Publications | |||
Cyanidin | 4-(1-Carboxy-3-hydroxyphenyl)beta-D-glucuronic acid | Not Available | Not Available | Not Available | Not Available | Not Available | Not Available | C13H14O10 | 330.058696651 | Publications | |||
Cyanidin | 4-(1-Carboxyphenyl)beta-D-glucuronic acid | Not Available | Not Available | Not Available | Not Available | Not Available | Not Available | C13H14O9 | 314.063782031 | Publications | |||
Cyanidin | Cyanidin glucuronide | human | plasma, urine | host metabolism | 1h-3h | <20 nmol/L | <1% | C22H21O12 | 477.4019678 | Detailed Intervention Studies | Publications | ||
Cyanidin | Methylcyanidin glucuronide | human | serum, urine | host metabolism | 1h-3h | 50-200 nmol/L | <1% | C23H23O12 | 491.4289566 | Detailed Intervention Studies | Publications | ||
Cyanidin | Cyanidin-diglucuronide | Not Available | Not Available | Not Available | Not Available | Not Available | Not Available | Detailed Intervention Studies | |||||
Cyanidin | Cyanidin-3-glucoside-disulfate | Not Available | Not Available | Not Available | Not Available | Not Available | Not Available | Detailed Intervention Studies | |||||
Cyanidin | Cyanidin-3-glucoside-sulfate | human | plasma | host metabolism | 1h-3h | 50-200 nmol/L | Not Available | Publications |