Luteolin 7-O-rutinoside
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
Structure for Luteolin 7-O-rutinoside
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 Online Resources
No spectra information available
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Globe artichoke | Vegetables, Other vegetables | Publications | Show |
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