PhytoHub: Showing entry for Lucenin-2

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

External Links

ChEBI: 6553
PubChem: 442615
Chemistry Dashboard: DTXSID00331881
PeakForestCompound: 000686

Taxonomy as Food Phytochemical

Family: Polyphenols
Class: Flavonoids
Sub-class: Flavones

Spectra from Phytohub

	Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

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

Back

Showing entry for Lucenin-2