precursor

Showing entry for Luteolin 7-O-rutinoside

Identification

PhytoHub ID
PHUB000899
Name
Luteolin 7-O-rutinoside
Systematic Name
Not Available
Synonyms
  • 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl 2-O-(α-L-rhamnopyranosyl)-β-D-glucopyranosid
  • 3',4',5,7-Tetrahydroxyflavone; 7-O-[α-L-Rhamnopyranosyl-(1→6)-β-D-glucopyranoside]
  • 7-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5-hydrox
  • luteolin 7-O-neohesperidoside
  • Luteolin-7-O-rhamnoside
  • Luteoline-7-rhamnoglucoside
  • Scolymoside
CAS Number
25694-72-8
Average Mass
594.522
Monoisotopic Mass
594.158470266
Chemical Formula
C27H30O15
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}-4H-chromen-4-one
InChI Key
FHHSEFRSDKWJKJ-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C27H30O15/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/h2-7,9,18,20-30,32-37H,8H2,1H3/t9-,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)C=C(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
Similar Structures

Calculated Properties

Solubility (ALOGPS)
2.07e+00 g/l
LogS (ALOGPS)
-2.46
LogP (ALOGPS)
0.01
Hydrogen Acceptors
15
Hydrogen Donors
9
Rotatable Bond Count
6
Polar Surface Area
245.28999999999994
Refractivity
137.90879999999996
Polarizability
56.434270373966356
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-3.6486859942971344
pKa (strongest acidic)
7.296797205563374
Number of Rings
5
Rule of Five
No
Bioavailability
No
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
Yes

Taxonomy as Food Phytochemical

Family
Polyphenols
Class
Flavonoids
Sub-class
Flavones

Spectra from Phytohub

Food Sources

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

No metabolism information available

Inter-Individual Variations in Metabolism

No data on inter-individual variations available

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