Naringin
precursor
Showing entry for Naringin
Identification
- PhytoHub ID
- PHUB000389
- Name
- Naringin
- Synonyms
- Naringenin 7-O-neohesperidoside
- Naringenin 7-O-rhamnoglucoside
- CAS Number
- Not Available
- Average Mass
- 580.539
- Monoisotopic Mass
- 580.17920571
- Chemical Formula
- C27H32O14
- IUPAC Name
- 7-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzopyran-4-one
- InChI Key
- DFPMSGMNTNDNHN-JJLSSNRUSA-N
- InChI Identifier
InChI=1S/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16?,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1
- SMILES
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC2=CC(O)=C3C(=O)CC(OC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 4.06e+00 g/l
- LogS (ALOGPS)
- -2.16
- LogP (ALOGPS)
- -0.24
- Hydrogen Acceptors
- 14
- Hydrogen Donors
- 8
- Rotatable Bond Count
- 6
- Polar Surface Area
- 225.05999999999997
- Refractivity
- 134.30380000000002
- Polarizability
- 56.864154507353646
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -3.6121826294490695
- pKa (strongest acidic)
- 8.579343377607254
External Links
- PubChem
- 25075
Taxonomy
- Family
- Polyphenols
- Class
- Flavonoids
- Sub-class
- Flavanones
Spectra
| Record ID | Source | Description | View |
|---|---|---|---|
| BML01161 | MassBank | LC-ESI-QTOF Spectrum - 10 ev, unspecified | View Spectra |
| BML01170 | MassBank | LC-ESI-QTOF Spectrum - 20 ev, unspecified | View Spectra |
| BML01179 | MassBank | LC-ESI-QTOF Spectrum - 40 ev, unspecified | View Spectra |
| BML81785 | MassBank | LC-ESI-QTOF Spectrum - -, unspecified | View Spectra |
| BML81786 | MassBank | LC-ESI-QTOF Spectrum - -, unspecified | View Spectra |
| CE000186 | MassBank | LC-ESI-ITFT Spectrum - 35eV, unspecified | View Spectra |
| CE000187 | MassBank | LC-ESI-ITFT Spectrum - 45eV, unspecified | View Spectra |
| CE000188 | MassBank | LC-ESI-ITFT Spectrum - 55eV, unspecified | View Spectra |
| CE000189 | MassBank | LC-ESI-ITFT Spectrum - 70eV, unspecified | View Spectra |
| CE000190 | MassBank | LC-ESI-ITFT Spectrum - -, unspecified | View Spectra |
| PB000783 | MassBank | LC-ESI-QTOF Spectrum - 10 eV, unspecified | View Spectra |
| PB000784 | MassBank | LC-ESI-QTOF Spectrum - 15 eV, unspecified | View Spectra |
| PB000785 | MassBank | LC-ESI-QTOF Spectrum - 25 eV, unspecified | View Spectra |
| PB000801 | MassBank | LC-ESI-QTOF Spectrum - 40 eV, unspecified | View Spectra |
| PB000802 | MassBank | LC-ESI-QTOF Spectrum - 55 eV, unspecified | View Spectra |
| PB000803 | MassBank | LC-ESI-QTOF Spectrum - 25 eV, unspecified | View Spectra |
| PB000804 | MassBank | LC-ESI-QTOF Spectrum - 40 eV, unspecified | View Spectra |
| PB005722 | MassBank | LC-ESI-QTOF Spectrum - 10 eV, unspecified | View Spectra |
| PB005723 | MassBank | LC-ESI-QTOF Spectrum - 15 eV, unspecified | View Spectra |
| PB005724 | MassBank | LC-ESI-QTOF Spectrum - 20 eV, unspecified | View Spectra |
| PB005725 | MassBank | LC-ESI-QTOF Spectrum - 25 eV, unspecified | View Spectra |
| PB005726 | MassBank | LC-ESI-QTOF Spectrum - 30 eV, unspecified | View Spectra |
| TY000029 | MassBank | LC-ESI-ITTOF Spectrum - -, [M-H]- | View Spectra |
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Grapefruit | Fruit, Citrus | Publications | Show | |
| Grapefruit juice | Beverages, Non-alcoholic | Publications | Show | |
| Lemon | Fruit, Citrus | Publications | Show | |
| Lime | Fruit, Citrus | Publications | Show | |
| Sour orange | Fruit, Citrus | Publications | Show | |
| Sweet orange | Fruit, Citrus | Publications | Show |
Metabolism
| Precursor | Metabolite | Species | Biofluids | |||
|---|---|---|---|---|---|---|
| Naringin | Dihydro-p-coumaric acid | human | plasma | Publications | ||
| Naringin | 3-Phenylpropionic acid | human | plasma | Publications | ||
| Naringin | Naringenin 4'-O-glucuronide | human | urine | Publications | ||
| Naringin | Naringenin 7-O-glucuronide | human | urine | Publications |
Naringin