ReCAnt | Resource on Chemicals Used in Aquaculture and Their Ecotoxicity

Trans-Cinnamic Acid

Biotransformation Network EPA EPISUITE EPA ECOSAR

Biotransformation Network

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Successor SMILES	Successor PubChem ID	Reaction Name	Enzyme	Biosystem
OC(=O)/C=C/C1=C(C(=CC=C1)O)O	5282146	EAWAG_RULE_BT0005_PATTERN3	Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
C(=O)(/C=C/C1=CC(O)=C(O)C=C1)O	689043	EAWAG_RULE_BT0005_PATTERN3	Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
OC(=O)CC(C1=CC=CC=C1)O	92959	EAWAG_RULE_BT0021_PATTERN2	Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
OC(=O)CCC1=CC=CC=C1	107	EAWAG_RULE_BT0291_PATTERN1	Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )

EPA EPISUITE – Environmental Fate

Predicted log KOW ⓘ	Experimental log KOW ⓘ	Predicted log KAW ⓘ	Predicted log KOA ⓘ	Experimental log KOA ⓘ	BCF (L/kg wet-wt) ⓘ	BAF (L/kg wet-wt) ⓘ
2.0707	2.13	-6.5219	8.6519		3.16	13.52

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EPA ECOSAR – Aquatic Toxicity

QSAR Class	Organism	Duration	Endpoint	Concentration (mg/L)
Neutral Organics	Fish	96-hr	LC50	930.2203
Neutral Organics	Daphnid	48-hr	LC50	534.5629
Neutral Organics	Green Algae	96-hr	EC50	418.4589
Neutral Organics	Fish (SW)	96-hr	LC50	1171.9896
Neutral Organics	Mysid	96-hr	LC50	797.5863

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DISCLAIMER

ReCAnt is a database of chemicals used in aquaculture and their ecotoxic effects, compiled from published literature. The authors are not liable for any inaccuracies or omissions of any chemicals in this resource. Importantly, our sole goal to build this resource on chemicals used in aquaculture is to enable future basic research on this topic, and it does not necessarily reflect the views or objectives of our employers or funders.