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 Phytohub

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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