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Drug Target Insights 2025 | DOI: 10.33393/dti.2025.3631 | Fanta et al 

 
Figure S1: HR-ESI-MS (-) spectrum of compound 1 
 

 
Figure S2: 1H NMR spectrum of compound 1 



Drug Target Insights 2025 | DOI: 10.33393/dti.2025.3631 | Fanta et al 

 
Figure S3: 13C NMR spectrum of compound 1 

 

 
Figure S4: APT NMR spectrum of compound 1 



Drug Target Insights 2025 | DOI: 10.33393/dti.2025.3631 | Fanta et al 

 
Figure S5: HMBC spectrum of compound 1 

  

 
Figure S6: HMBC spectrum of compound 1 showing 5J correlation 

 



Drug Target Insights 2025 | DOI: 10.33393/dti.2025.3631 | Fanta et al 

Table S1. 1H, 13C NMR Data and correlation HMBC of Compounds 1 (CDCl3, 500 MHz) δ in ppm 

Position 1 

𝜹C 𝜹H HMBC 

1/12′ 144.9 - - 

2/13′ 143.8 - - 

3/14′ 114.3 6.83 (s, 2H) C-1, C-2, C-4, C-7/C-12′, C-13′, C-9′ 

4/9′ 124.6 - - 

5/10′ 131.7 - - 

6/11′ 109.9 7.73 (s, 2H) C-1, C-2, C-4, C-5, C-4′/C-12′, C-13′, C-9′, C-10′, 

C-9  

7/7′ 29.2 2.70 (m, 4H) C-3, C-4, C-5, C-8/C-8′, C-3′ 

8/8′ 31.0 2.72 (m, 4H) C-7, C-9, C-14/C-10′, C-7′, C-4′ 

9/4′ 115.2 - - 

10/5′ 101.2 6.33 (d, 2H, J=2.5Hz) C-8, C-9, C-11, C-12/C4′, C-6′, C-1′, C-7′  

11/6′ 158.7 - - 

12/1′ 106.7 6.44 (d, 2H, J=2.5Hz) C-10, C-11, C-13/C-5′, C-6′, C-2′ 

13/2′ 153.1 - - 

14/3′ 141.5 - -  

11/6′-OCH3 55.4 3.80 (s, 6H) C-11/C-6′ 

1/12′-OCH3 56.3 3.91 (s, 6H) C-1/ C-12′ 

2/13′-OH - 5.62 (s, 2H) C-1, C-3/ C-12′, C-13′ 

13/2′-OH  5.33 (s, 2H) C-13/C-2′ 

 

 

 

Figure S7. Diagrams determining inhibition percentage of antioxidant activities of extracts and isolated 

compounds according to DPPH and FRAP test 

0

10

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70

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BHT 1 6 7 E. AcOEt E. MeOH

%
 in

hi
b

iti
on

Sample

DPPH FRAP



Drug Target Insights 2025 | DOI: 10.33393/dti.2025.3631 | Fanta et al 

 

Highlight 

 First chemical and pharmacological investigation of the twigs of Combretum molle 

 Isolation and characterizations of a new macrocyclic bisbibenzyl from C. molle 

 Potent antioxidant activities of extract and pure isolated compounds 

 Results are in agreement with the traditional health uses of the plant