Narirutin
precursor
Showing entry for Narirutin
Identification
- PhytoHub ID
- PHUB000392
- Name
- Narirutin
- Synonyms
- Naringenin 7-O-rutinoside
- CAS Number
- Not Available
- Average Mass
- 580.539
- Monoisotopic Mass
- 580.17920571
- Chemical Formula
- C27H32O14
- IUPAC Name
- 5-hydroxy-2-(4-hydroxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
- InChI Key
- HXTFHSYLYXVTHC-TUURGLJWSA-N
- InChI Identifier
InChI=1S/C27H32O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-7,10,16,18,20-29,31-36H,8-9H2,1H3/t10-,16?,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1
- SMILES
C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC(O)=C4C(=O)CC(OC4=C3)C3=CC=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 3.08e+00 g/l
- LogS (ALOGPS)
- -2.28
- LogP (ALOGPS)
- -0.35
- Hydrogen Acceptors
- 14
- Hydrogen Donors
- 8
- Rotatable Bond Count
- 6
- Polar Surface Area
- 225.05999999999997
- Refractivity
- 134.30380000000005
- Polarizability
- 56.55559613093156
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -3.6121823516836606
- pKa (strongest acidic)
- 8.579286961223794
External Links
- PubChem
- 477826
Taxonomy
- Family
- Polyphenols
- Class
- Flavonoids
- Sub-class
- Flavanones
Spectra
| Record ID | Source | Description | View |
|---|---|---|---|
| PM000320 | ReSpect | N/A Spectrum - 35, [M-H]- | View Spectra |
| PM000506 | ReSpect | N/A Spectrum - 35%, [M+H]+ | View Spectra |
| PM007417 | ReSpect | N/A Spectrum - 35V, [M-H]- | View Spectra |
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Grapefruit | Fruit, Citrus | Publications | Show | |
| Grapefruit juice | Beverages, Non-alcoholic | Publications | Show | |
| Orange juice | Beverages, Non-alcoholic | Publications | Show | |
| Sweet orange | Fruit, Citrus | Publications | Show |
Metabolism
| Precursor | Metabolite | Species | Biofluids | Formula | Monoisotopic mass | |||
|---|---|---|---|---|---|---|---|---|
| Narirutin | Naringenin 4'-O-glucuronide | human rat | plasma (major), urine (major) | C21H20O11 | 448.100561464 | Publications | ||
| Narirutin | Naringenin 7-O-glucuronide | human rat | plasma (major), urine (major) | C21H20O11 | 448.100561482 | Publications | ||
| Narirutin | Naringenin O-diglucuronide | human | urine (minor) | C27H28O17 | 624.5095093 | Publications |
Narirutin