ReCAnt | Resource on Chemicals Used in Aquaculture and Their Ecotoxicity

Chalcone

Chalcone

Biotransformation Network EPA EPISUITE EPA ECOSAR

Biotransformation Network

Hover over the node to see more details.

Successor SMILES	Successor PubChem ID	Reaction Name	Reaction SMILES	Enzyme	Biosystem	Transformation
O=C(C1=CC=CC=C1)/C=C/C2=C(C(=CC=C2)O)O	21932936	EAWAG_RULE_BT0005_PATTERN3		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O=C(C1=CC=CC=C1)/C=C/C2=CC(=C(C=C2)O)O	6474896	EAWAG_RULE_BT0005_PATTERN3		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O=C(C1=C(C(=CC=C1)O)O)/C=C/C2=CC=CC=C2		EAWAG_RULE_BT0005_PATTERN3		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O=C(C1=CC(=C(C=C1)O)O)/C=C/C2=CC=CC=C2	10444297	EAWAG_RULE_BT0005_PATTERN3		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O=C(C1=CC=CC=C1)CC(C2=CC=CC=C2)O	10059587	EAWAG_RULE_BT0021_PATTERN2		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O=C(C1=CC=CC=C1)CCC2=CC=CC=C2	64802	EAWAG_RULE_BT0291_PATTERN1		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )

↑ Back to Top

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) ⓘ
3.6575	3.08	-5.0237	8.1037		13	63.77

↑ Back to Top

EPA ECOSAR – Aquatic Toxicity

QSAR Class	Organism	Duration	Endpoint	Concentration (mg/L)
Neutral Organics	Fish	96-hr	LC50	18.3342
Neutral Organics	Daphnid	48-hr	LC50	11.5019
Neutral Organics	Green Algae	96-hr	EC50	12.94
Neutral Organics	Fish (SW)	96-hr	LC50	23.2311
Neutral Organics	Mysid	96-hr	LC50	8.3068
Vinyl/Allyl Propargyl Ketones	Fish	96-hr	LC50	23.6552
Vinyl/Allyl Propargyl Ketones	Daphnid	48-hr	LC50	15.3825
Vinyl/Allyl Propargyl Ketones	Green Algae	96-hr	EC50	22.3074
Vinyl/Allyl Propargyl Ketones	Fish (SW)	96-hr	LC50	83.2059
Vinyl/Allyl Propargyl Ketones	Mysid (SW)	96-hr	LC50	5.9185

↑ Back to Top

⇧

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.