ReCAnt | Resource on Chemicals Used in Aquaculture and Their Ecotoxicity

Dihydroquercetin

Dihydroquercetin

Biotransformation Network EPA EPISUITE EPA ECOSAR

Biotransformation Network

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Successor SMILES	Successor PubChem ID	Reaction Name	Reaction SMILES	Enzyme	Biosystem	Transformation
O1[C@@H]([C@@H](O)C(=O)C=2C1=CC(O)=CC2O)C(C=C(O)C([O-])=O)=CC=O		EAWAG_RULE_BT0008		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O1[C@@H](C(O)OC(=O)C=2C1=CC(O)=CC2O)C3=CC(O)=C(O)C=C3		EAWAG_RULE_BT0071		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
OC=1C(C([C@@H](C(C2=CC(O)=C(O)C=C2)O)O)=O)=C(C=C(C1)O)O		EAWAG_RULE_BT0158_PATTERN2		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O1[C@@H]([C@@H](O)C(=O)C=2C1=CC(O)=CC2O)C(CC(=[OH])C([OH-])=O)=C		EAWAG_RULE_BT0351_PATTERN6		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
C([O-])=O	283	EAWAG_RULE_BT0351_PATTERN6		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O1[C@@H]([C@@H](O)C(=O)C=2C1=CC(O)=CC2O)C(=CC(O)=O)C=CC(O)=O		EAWAG_RULE_BT0254_PATTERN2		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )

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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) ⓘ
0.5943	0.95	-19.7114	20.6614		3.16	1.05

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EPA ECOSAR – Aquatic Toxicity

QSAR Class	Organism	Duration	Endpoint	Concentration (mg/L)
Neutral Organics	Fish	96-hr	LC50	2192.0349
Neutral Organics	Daphnid	48-hr	LC50	1129.6461
Neutral Organics	Green Algae	96-hr	EC50	563.576
Neutral Organics	Fish (SW)	96-hr	LC50	2742.3159
Neutral Organics	Mysid	96-hr	LC50	4150.7578
Ketone alcohols	Fish	96-hr	LC50	74.9942
Ketone alcohols	Daphnid	48-hr	LC50	42.9203
Ketone alcohols	Green Algae	96-hr	EC50	10.7164
Phenols, Poly	Fish	96-hr	LC50	68.7903
Phenols, Poly	Daphnid	48-hr	LC50	818.1962
Phenols, Poly	Green Algae	96-hr	EC50	14.436

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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.