paclobutrazol

Identification (Source:EPA,EU)

ID 1734
Name paclobutrazol
CAS 76738-62-0
IUPAC
Inchi InChI=1S/2C15H20ClN3O/c2*1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h2*4-7,9-10,13-14,20H,8H2,1-3H3/t2*13-,14+/m10/s1
CIPAC 445
EPA Code 125601
Formula C15H20ClN3O
SMILES n1c[n@]([C@@H]([C@H](C(C)(C)C)O)Cc2ccc(cc2)Cl)nc1.n1c[n@](nc1)[C@H]([C@@H](C(C)(C)C)O)Cc1ccc(cc1)Cl
Status Approved

Classification

Mode of Action Absorbed through leaves, stem and roots and translocated
Pesticide Type Plant growth regulator
Chemical Group Triazole
Classification growth retardants

Properties (Source:PubChem)

Molecular Weight 293.8
Physical State White crystalline solid
AlogP 6.696
H-Bond Donor 2
H-Bond Acceptor 6
Surface Area 607.83
Polar Surface Area 101.88

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 7.2 mg l-1
Aquatic invertebrates Acute 48 hour EC50 33.2 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 0.32 mg l-1
Aquatic plants Acute 7 day EC50, biomass 0.0082 mg l-1
Birds Acute LD50 > 2100 mg kg-1
Birds Short term dietary LC50/LD50 > 2000 mg/kg feed
Earthworms Chronic 14 day NOEC, reproduction 0.68 mg kg-1
Earthworms Acute 14 day LD50 > 500 mg kg-1
Fish Chronic 21 day NOEC 3.3 mg l-1
Fish Acute 96 hour LC50 23.6 mg l-1
Honeybees Acute 48 hour LD50 > 2 μg bee-1
Mammals Acute oral LD50 1336 mg kg-1
Mammals Short term dietary NOEL 50 ppm diet
Mammals Short term dietary NOEL 2.5 mg kg-1
Bio-concentration factor CT50 Not available days
Bio-concentration factor BCF 44

Related targets

Target Name RScore (About this table)
cytochrome P450 (protein family or complex) 179(1,4,4,9) Details
spy 1 84(1,1,1,4) Details
lep 1 82(1,1,1,2) Details
pat 2 74(0,2,2,14) Details
ctr 1 31(0,1,1,1) Details
RGL2 19(0,0,0,19) Details
superoxide dismutase 16(0,0,2,6) Details
catalase 15(0,0,2,5) Details
Ana 12(0,0,2,2) Details
ATPase 10(0,0,0,10) Details
CHRD 8(0,0,1,3) Details
RGL1 7(0,0,0,7) Details
phosphoenolpyruvate carboxylase 6(0,0,1,1) Details
AhR 6(0,0,0,6) Details
pat 4 6(0,0,0,6) Details
pat 3 6(0,0,0,6) Details
MIF1 5(0,0,0,5) Details
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