precursor

Showing entry for Lucenin-2

Identification

PhytoHub ID
PHUB000891
Name
Lucenin-2
Systematic Name
Not Available
Synonyms
  • Luteolin 6,8-di-C-glucoside
CAS Number
Not Available
Average Mass
610.521
Monoisotopic Mass
610.153384886
Chemical Formula
C27H30O16
IUPAC Name
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one
InChI Key
IQPNAANSBPBGFQ-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C27H30O16/c28-5-12-17(33)21(37)23(39)26(42-12)15-19(35)14-10(32)4-11(7-1-2-8(30)9(31)3-7)41-25(14)16(20(15)36)27-24(40)22(38)18(34)13(6-29)43-27/h1-4,12-13,17-18,21-24,26-31,33-40H,5-6H2/t12-,13-,17-,18-,21+,22+,23-,24-,26+,27+/m1/s1
SMILES
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=C(O)C2=C(OC(=CC2=O)C2=CC=C(O)C(O)=C2)C([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C1O
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
1.14e+01 g/l
LogS (ALOGPS)
-1.73
LogP (ALOGPS)
-0.97
Hydrogen Acceptors
16
Hydrogen Donors
12
Rotatable Bond Count
5
Polar Surface Area
287.52
Refractivity
141.13140000000007
Polarizability
58.224267369151235
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-3.6491264777456363
pKa (strongest acidic)
5.737438763745491
Number of Rings
5
Rule of Five
No
Bioavailability
No
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
Polyphenols
Class
Flavonoids
Sub-class
Flavones

Spectra from Online Resources

No spectra information available

Food Sources

No food source information available

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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