benzobicyclon

Identification (Source:EPA,EU)

ID 1230
Name benzobicyclon
CAS 156963-66-5
IUPAC 3-(2-chloro-4-mesylbenzoyl)-2-phenylthiobicyclo[3.2.1]oct-2-en-4-one
Inchi InChI=1S/C22H19ClO4S2/c1-29(26,27)16-9-10-17(18(23)12-16)21(25)19-20(24)13-7-8-14(11-13)22(19)28-15-5-3-2-4-6-15/h2-6,9-10,12-14H,7-8,11H2,1H3
CIPAC None allocated
EPA Code
Formula C22H19ClO4S2
SMILES O=S(=O)(c1ccc(c(Cl)c1)C(=O)C=3C(=O)C4CCC(C=3Sc2ccccc2)C4)C
Status Not Approved

Classification

Mode of Action Selective, absorbed through roots and basal stems and translocated. Bleaching inhibition of 4-hydroxyphenyl-pyruvate-dioxygenase.
Pesticide Type Herbicide
Chemical Group Unclassified
Classification unclassified herbicides

Properties (Source:PubChem)

Molecular Weight 446.96
Physical State Pale yellow crystalline solid
AlogP 4.943
H-Bond Donor 0
H-Bond Acceptor 5
Surface Area 385.11
Polar Surface Area 101.95

Structure



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3D similarity method

2D similarity method

Compound Database



Bioactivity Database

KEGG (5,928)

PDB (7,072)


Similarity Threshold

Ecotoxicology (Source:PPDB,IPM)

Species Method Study Time Dose Type Value
Algae Acute 72 hour EC50, growth 1.0 mg l-1
Aquatic invertebrates Acute 48 hour EC50 1.0 mg l-1
Birds Acute LD50 2250 mg kg-1
Fish Acute 96 hour LC50 10.0 mg l-1
Honeybees Acute 48 hour LD50 200 μg bee-1
Mammals Acute oral LD50 > 5000 mg kg-1
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