Nowadays, the accumulation of toxic heavy metals in soil and water streams is considered a serious environmental problem that causes various harmful effects on plants and animals. Phytoremediation is an effective, green, and economical bioremediation approach by which the harmful heavy metals in the contaminated ecosystem can be detoxified and accumulated in the plant. Hyperaccumulators exude molecules called transporters that carry and translocate the heavy metals present in the soil to different plant parts. The hyperaccumulator plant genes can confine higher concentrations of toxic heavy metals in their tissues. The efficiency of phytoremediation relies on various parameters such as soil properties (pH and soil type), organic matters in soil, heavy metal type, nature of rhizosphere, characteristics of rhizosphere microflora, etc. The present review comprehensively discusses the toxicity effect of heavy metals on the environment and different phytoremediation mechanisms for the transport and accumulation of heavy metals from polluted soil. This review gave comprehensive insights into plants tolerance for the higher heavy metal concentration their responses for heavy metal accumulation and the different mechanisms involved for heavy metal tolerance. The current status and the characteristic features that need to be improved in the phytoremediation process are also reviewed in detail.