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Table 5 Electronic properties of 6-Gingerol were calculated using the TD-DFT/B3LYP/6-311G++ (2d, 2p) basis set

From: Structure based docking and biological evaluation towards exploring potential anti-cancerous and apoptotic activity of 6-Gingerol against human prostate carcinoma cells

S. No

 

λmax

Energy (eV)

Oscillating strength (f)

Assignments for major transitions

Major contributions (> 10%)

1

Gas

304.41

4.0729

0.0031

π→π*

H→L (52.63)

278.45

4.4537

0.0021

π→π*

H→L (45.74)

264.19

4.6930

0.0677

π→π*

H→L-2 (76.12)

2

Solvents

Water

297.62

4.1659

0.0051

π→π*

H→L (55.87)

271.57

4.5655

0.0052

π→π*

H→L (42.11)

261.39

4.7433

0.0763

π→π*

H→L-1 (81.64)

3

Methanol

297.89

4.1620

0.0051

π→π*

H→L (55.97)

271.84

4.5609

0.0050

π→π*

H→L (42.06)

261.52

4.7409

0.0764

π→π*

H→L-1 (81.78)

4

Ethanol

298.05

4.1598

0.0051

π→π*

H→L (56.00)

272.01

4.5582

0.0052

π→π*

H→L (42.03)

261.65

4.7385

0.0779

π→π*

H→L-1 (81.91)

5

Benzene

302.05

4.1047

0.0048

π→π*

H→L (55.65)

276.03

4.4917

0.0048

π→π*

H→L (42.69)

263.95

4.6972

0.0875

π→π*

H→L-1 (67.63)