Vicenin 2
precursor
Showing entry for Vicenin 2
Identification
- PhytoHub ID
- PHUB000911
- Name
- Vicenin 2
- Systematic Name
- Not Available
- Synonyms
- Apigenin 6,8-di-C-glucoside
- CAS Number
- Not Available
- Average Mass
- 594.522
- Monoisotopic Mass
- 594.158470266
- Chemical Formula
- C27H30O15
- IUPAC Name
- 5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one
- InChI Key
- FIAAVMJLAGNUKW-VQVVXJKKSA-N
- InChI Identifier
InChI=1S/C27H30O15/c28-6-12-17(32)21(36)23(38)26(41-12)15-19(34)14-10(31)5-11(8-1-3-9(30)4-2-8)40-25(14)16(20(15)35)27-24(39)22(37)18(33)13(7-29)42-27/h1-5,12-13,17-18,21-24,26-30,32-39H,6-7H2/t12-,13-,17-,18-,21+,22+,23-,24-,26+,27+/m1/s1
- SMILES
[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1=C(O)C(=C2OC(=CC(=O)C2=C1O)C1=CC=C(O)C=C1)[C@]1([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 9.88e+00 g/l
- LogS (ALOGPS)
- -1.78
- LogP (ALOGPS)
- -0.97
- Hydrogen Acceptors
- 15
- Hydrogen Donors
- 11
- Rotatable Bond Count
- 5
- Polar Surface Area
- 267.28999999999996
- Refractivity
- 139.15049999999994
- Polarizability
- 57.70472598691263
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -3.644730897621573
- pKa (strongest acidic)
- 5.737497455154958
- Number of Rings
- 5
- Rule of Five
- No
- Bioavailability
- No
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
Taxonomy as Food Phytochemical
- Family
- Polyphenols
- Class
- Flavonoids
- Sub-class
- Flavones
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Flavonoids
- Super-class
- Phenylpropanoids and polyketides
- Sub-class
- Flavonoid glycosides
- Direct Parent Name
- Flavonoid 8-C-glycosides
- Alternative Parent Names
- ["1-hydroxy-2-unsubstituted benzenoids", "4'-hydroxyflavonoids", "5-hydroxyflavonoids", "7-hydroxyflavonoids", "Benzene and substituted derivatives", "C-glycosyl compounds", "Chromones", "Dialkyl ethers", "Flavones", "Heteroaromatic compounds", "Hexoses", "Hydrocarbon derivatives", "Organic oxides", "Oxacyclic compounds", "Oxanes", "Phenolic glycosides", "Polyols", "Primary alcohols", "Pyranones and derivatives", "Secondary alcohols", "Vinylogous acids"]
- External Descriptor Annotations
- ["C-glycosyl compound", "Flavones and Flavonols", "flavones", "trihydroxyflavone"]
- Substituent Names
- ["1-benzopyran", "1-hydroxy-2-unsubstituted benzenoid", "4'-hydroxyflavonoid", "5-hydroxyflavonoid", "7-hydroxyflavonoid", "Alcohol", "Aromatic heteropolycyclic compound", "Benzenoid", "Benzopyran", "C-glycosyl compound", "Chromone", "Dialkyl ether", "Ether", "Flavone", "Flavonoid-8-c-glycoside", "Glycosyl compound", "Heteroaromatic compound", "Hexose monosaccharide", "Hydrocarbon derivative", "Hydroxyflavonoid", "Monocyclic benzene moiety", "Monosaccharide", "Organic oxide", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Oxane", "Phenol", "Phenolic glycoside", "Polyol", "Primary alcohol", "Pyran", "Pyranone", "Secondary alcohol", "Vinylogous acid"]
Spectra from Online Resources
No spectra information available
Food Sources
Name | Group | |||
---|---|---|---|---|
Orange juice | Beverages, Non-alcoholic | 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 | ||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Vicenin 2 | Vicenin 2 | rat | plasma | unchanged | 1h-3h | 0.5-2µmol/L | No data | C27H30O15 | 594.158470266 | Publications |
Inter-Individual Variations in Metabolism
Food Phytochemical | Metabolite | Effect | Value |
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