The genus Streptomyces is the wealthiest authority of bioactive compounds with their immense array of chemical substances and activities. With this view, about 10 soil Streptomyces isolates that inhibit more than a weed among Echinochola crusigalli L., Amaranthus spinosus L. and Cyperusrotundus L. under moist chamber and roll towel paper assay were selected from a total of 118 isolates. Based on the percentage of weed growth inhibition and paddy plant shoot growth promoting potency, the isolate DDBH019 was identified as potent, from which a novel herbicidal compound was isolated. Using the physical and chemical properties, the Streptomyces sp. DDBH019-derived herbicidal compound was identified as diethyl 7-hydroxytrideca-2, 5, 8, 11-tetraenedioate. Finally, the molecular dynamics simulation and docking studies validated effective interaction of herbicidal compound with weed receptors. Indeed, the present study portrays a novel lead toward the Streptomyces spp.-derived herbicides against chemical compounds in the agricultural field. © 2017, King Fahd University of Petroleum & Minerals.