Eriocitrin
precursor
Showing entry for Eriocitrin
Identification
- PhytoHub ID
- PHUB000377
- Name
- Eriocitrin
- Synonyms
- Eriodictyol 7-O-rutinoside
- CAS Number
- Not Available
- Average Mass
- 596.538
- Monoisotopic Mass
- 596.17412033
- Chemical Formula
- C27H32O15
- IUPAC Name
- 2-(3,4-dihydroxyphenyl)-5-hydroxy-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
- OMQADRGFMLGFJF-GDRLQRQZSA-N
- InChI Identifier
InChI=1S/C27H32O15/c1-9-20(32)22(34)24(36)26(39-9)38-8-18-21(33)23(35)25(37)27(42-18)40-11-5-14(30)19-15(31)7-16(41-17(19)6-11)10-2-3-12(28)13(29)4-10/h2-6,9,16,18,20-30,32-37H,7-8H2,1H3/t9-,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(O)=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)
- 3.53e+00 g/l
- LogS (ALOGPS)
- -2.23
- LogP (ALOGPS)
- -0.35
- Hydrogen Acceptors
- 15
- Hydrogen Donors
- 9
- Rotatable Bond Count
- 6
- Polar Surface Area
- 245.28999999999996
- Refractivity
- 136.28470000000004
- Polarizability
- 57.70502569352468
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -3.648685994297116
- pKa (strongest acidic)
- 8.536076051024976
External Links
- PubChem
- 13872461
Taxonomy
- Family
- Polyphenols
- Class
- Flavonoids
- Sub-class
- Flavanones
Spectra
No spectra information available
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Lemon | Fruit, Citrus | Publications | Show | |
| Lime | Fruit, Citrus | Publications | Show |
Metabolism
| Precursor | Metabolite | Species | Biofluids | Formula | Monoisotopic mass | |||
|---|---|---|---|---|---|---|---|---|
| Eriocitrin | Hesperetin | rat | urine | C16H14O6 | 302.079038171 | Publications | ||
| Eriocitrin | Dihydrocaffeic acid | in vitro (human) rat | plasma (major), urine (major) | C9H10O4 | 182.057908808 | Publications | ||
| Eriocitrin | Dihydrocaffeic acid glucuronide | rat | urine | C15H18O10 | 358.3021714 | Publications | ||
| Eriocitrin | Eriodictyol 7-O-glucuronide | rat | urine | C21H20O12 | 464.095476084 | Publications | ||
| Eriocitrin | Hesperetin glucuronide | rat | urine | C22H22O12 | 478.4099437 | Publications | ||
| Eriocitrin | Homoeriodictyol | rat | urine | C16H14O6 | 302.07903818 | Publications | ||
| Eriocitrin | Homoeriodictyol glucuronide | rat | urine | C22H22O12 | 478.4099437 | Publications |
Eriocitrin