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validamycin

Identification (Source:EPA,EU)

ID	462
Name	validamycin
CAS	37248-47-8
IUPAC
Inchi	InChI=1S/C20H35NO13/c22-3-6-1-8(12(26)15(29)11(6)25)21-9-2-7(4-23)19(17(31)13(9)27)34-20-18(32)16(30)14(28)10(5-24)33-20/h1,7-32H,2-5H2/t7-,8+,9+,10-,11-,12+,13+,14-,15+,16+,17-,18-,19-,20+/m1/s1
CIPAC	8353
EPA Code
Formula	C20H35NO13
SMILES	O([C@@H]2[C@@H](O)[C@H](O)[C@H](NC1/C=C(/CO)[C@H](O)[C@@H](O)[C@@H]1O)C[C@H]2CO)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO
Status	Not Approved

Classification

Mode of Action	Non-systemic, inhibits enzyme trehalase
Pesticide Type	Fungicide, Antibiotic
Chemical Group	Micro-organism derived
Classification	antibiotic fungicides

Properties (Source:PubChem)

Molecular Weight	497.49
Physical State	White powder
AlogP	-5.768
H-Bond Donor	12
H-Bond Acceptor	14
Surface Area	467.48
Polar Surface Area	253.01

Structure

Ecotoxicology (Source:PPDB,IPM)

Species	Method	Study Time	Dose Type	Value
Aquatic invertebrates	Acute	48 hour	EC50	> 40 mg l-1
Birds	Acute		LD50	12500 mg kg-1
Birds	Acute		LD50	12500 mg kg-1
Fish	Acute	96 hour	LC50	> 40 mg l-1
Honeybees	Acute	48 hour	LD50	0.15 μg bee-1
Mammals	Acute oral		LD50	> 20000 mg kg-1
Mammals	Acute oral		LD50	> 20000 mg kg-1
Mammals	Short term dietary		NOEL	40.4 mg kg-1
Mammals	Short term dietary		NOEL	40.4 mg kg-1

Related targets

Target Name	RScore (About this table)
trehalases	847(7,15,15,47)	Details
beta glucosidase	202(2,3,4,7)	Details
glycosyltransferase	88(1,1,2,3)	Details
catalase	81(1,1,1,1)	Details

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