# New Anthracenone and Xanthenones From Tricholaena teneriffae With Antioxidant Activity: In Vitro and In Silico Studies

## TL;DR

Researchers discovered three new antioxidant compounds from Tricholaena teneriffae, which could be useful in agriculture and industry.

## Contribution

The discovery of three novel antioxidant phenolic compounds from Tricholaena teneriffae and their in vitro and in silico validation.

## Key findings

- Three new phenolic compounds (1–3) showed antioxidant activity comparable to vitamin C.
- Compound (4), lacking hydroxyl groups, had negligible antioxidant activity.
- In silico docking confirmed effective binding of compounds (1–3) to lipoxygenase-3 with stable interactions.

## Abstract

Three novel phenolic compounds, namely, 6‐hydroxy‐3‐methoxy‐7H‐benzo[d]anthracen‐7‐one (1), 3‐hydroxy‐12H‐benzo[a] xanthen‐12‐one (2), and 10‐hydroxy‐12H‐benzo[a]xanthen‐12‐one (3), have been isolated from the aerial parts of Tricholaena teneriffae along with a known benzoxanthenone, 12H‐benzo[a]xanthen‐12‐one (4). All structures were elucidated through 1D‐ and 2D‐nuclear magnetic resonance (NMR) and UV analysis. The results revealed that Compounds (1–3) possess significant antioxidant capacity, slightly weaker but still comparable to that of vitamin C, whereas Compound (4), which lacks hydroxyl substituents, exhibited negligible antioxidant activity. Moreover, the antioxidant properties of the isolated compounds were confirmed by in silico docking analysis against lipoxygenase‐3, and it revealed that the isolated compounds effectively bind to the enzyme's active site with favorable binding energies, forming stable hydrogen bonds and hydrophobic interactions. These findings could enhance the understanding of this species rich in natural antioxidants and encourage its potential applications in the development of agricultural and industrial goods.

Three novel phenolic compounds and one known benzoxanthenone are isolated from Tricholaena teneriffae. Compounds (1–3) demonstrate potent antioxidant activity, comparable to that of vitamin C, while compound (4) exhibits negligible activity. Docking studies are employed to validate the binding of the compounds to lipoxygenase‐3, providing evidence of the potential of Tricholaena teneriffae as a source of natural antioxidants for industrial purposes.