The surface chemistry of nanostructures concerning their smaller sizes, unique optical and electronic properties continue to benefit organic medicinal chemistry and biosynthesis of active titania nanoparticles with metabolites present in plant extracts. Deinbollia pinnata ethyl acetate leave extracts with sol-gel method afforded titania nanoparticles (TiO2 NPs-anatase) with photodegradation performance at 98.7% of methyl orange (MO) conversion within 150 mins. Together with observed participation of π-π* transition state more than that of η-π* state. The GC-MS spectrum revealed classes of compounds which include long-chain fatty acids, galloyl ester, long-chain esters, tetraterpenoids, triterpenoids, sesquiterpenoid terpenoid (isoprenoids) with a correlation maximum of stigmasterol (94%)as phytochemical contents of the crude extracts. The physiochemical analysis using X-ray diffraction (XRD) showed average crystallite size in the range of 19 – 21 nm, field emission scanning electron microscopy (FESEM) displayed uniform semi-spherical shape in the size range of 33 – 48 nm, energy dispersive X-ray (EDX) spectra depicted main elements of Ti (61 Wt.%) and O (35 Wt.%), UV-Vis spectroscopy exhibited band-gap energy of 3.2 eV, nitrogen sorption analysis specified type IV isotherm and BET surface area of 31.77 m2/g. The super-striking green TiO2 NPs photodegradation in this work with wide-ranged transitional states involvement, can, in turn, be used as bio-mediated TiO2 NPs in medicinal chemistry to enhance pharmacokinetics, pharmacological properties and replace chemical agents thereby reducing side effects at drug delivery site actions. Thus, natural products continue to integrate research advances and innovation.