Identification

PhytoHub ID
PHUB000391
Name
Naringin 6'-malonate
Synonyms
  • Naringenin 7-O-(6""-malonate-neohesperidoside)
CAS Number
Not Available
Average Mass
666.585
Monoisotopic Mass
666.179599635
Chemical Formula
C30H34O17
IUPAC Name
3-[(3,4-dihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-7-yl]oxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)methoxy]-3-oxopropanoic acid
InChI Key
YCOQCRMFNLZUCL-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C30H34O17/c1-11-23(37)25(39)27(41)29(43-11)47-28-26(40)24(38)19(10-42-21(36)9-20(34)35)46-30(28)44-14-6-15(32)22-16(33)8-17(45-18(22)7-14)12-2-4-13(31)5-3-12/h2-7,11,17,19,23-32,37-41H,8-10H2,1H3,(H,34,35)
SMILES
CC1OC(OC2C(O)C(O)C(COC(=O)CC(O)=O)OC2OC2=CC3=C(C(=O)CC(O3)C3=CC=C(O)C=C3)C(O)=C2)C(O)C(O)C1O
Structure

Calculated Properties

Solubility (ALOGPS)
1.93e+00 g/l
LogS (ALOGPS)
-2.54
LogP (ALOGPS)
0.39
Hydrogen Acceptors
16
Hydrogen Donors
8
Rotatable Bond Count
10
Polar Surface Area
268.42999999999995
Refractivity
149.7994
Polarizability
64.10603672096664
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-3.6121826294490695
pKa (strongest acidic)
3.3730318103290737
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Taxonomy

Family
Polyphenols
Class
Flavonoids
Sub-class
Flavanones

Spectra

No spectra information available

Food Sources

NameGroup
Grapefruit juiceBeverages, Non-alcoholic PublicationsShow

Metabolism

No metabolism information available

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