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
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Taxonomy

Family
Polyphenols
Class
Flavonoids
Sub-class
Flavanones

Spectra

No spectra information available

Food Sources

NameGroup
LemonFruit, Citrus PublicationsShow
LimeFruit, Citrus PublicationsShow

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Eriocitrin HesperetinraturineC16H14O6302.079038171 Publications
Eriocitrin Dihydrocaffeic acidin vitro (human) ratplasma (major), urine (major)C9H10O4182.057908808 Publications
Eriocitrin Dihydrocaffeic acid glucuronideraturineC15H18O10358.3021714 Publications
Eriocitrin Eriodictyol 7-O-glucuronideraturineC21H20O12464.095476084 Publications
Eriocitrin Hesperetin glucuronideraturineC22H22O12478.4099437 Publications
Eriocitrin HomoeriodictyolraturineC16H14O6302.07903818 Publications
Eriocitrin Homoeriodictyol glucuronideraturineC22H22O12478.4099437 Publications
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