dibutyl phthalate

Identification (Source:EPA,EU)

ID 1304
Name dibutyl phthalate
CAS 84-74-2
IUPAC dibutyl phthalate
Inchi InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3
CIPAC
EPA Code
Formula C16H22O4
SMILES O(C(c1c([H])c([H])c([H])c([H])c1C(=O)OC([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
Status Not Available

Classification

Mode of Action
Pesticide Type
Chemical Group
Classification Insect repellents

Properties (Source:PubChem)

Molecular Weight 278.34348
Physical State
AlogP 4.198
H-Bond Donor 0
H-Bond Acceptor 4
Surface Area 293.54
Polar Surface Area 52.6

Structure



ChemMapper Search Option (Docunmentation of ChemMapper)

3D similarity method

2D similarity method

Compound Database



Bioactivity Database

KEGG (5,928)

PDB (7,072)


Similarity Threshold

Related targets

Target Name RScore (About this table)
c Myc 87(1,1,1,7) Details
caspase 3 84(1,1,1,4) Details
Fatty Acid Binding Protein 82(1,1,1,2) Details
demethylase 82(1,1,1,2) Details
beta glucosidase 81(1,1,1,1) Details
DINP 174(0,4,9,29) Details
PPARalpha 50(0,1,1,20) Details
cytochrome P450 (protein family or complex) 48(0,1,1,18) Details
cathepsin B 45(0,1,3,5) Details
ERalpha 22(0,0,0,22) Details
thymic stromal lymphopoietin 21(0,0,2,11) Details
androgen receptor 17(0,0,1,12) Details
superoxide dismutase 14(0,0,1,9) Details
AP 1 (protein family or complex) 14(0,0,2,4) Details
osteopontin 12(0,0,2,2) Details
cytochrome c 10(0,0,1,5) Details
DT diaphorase 9(0,0,1,4) Details
P450scc 9(0,0,0,9) Details
BP2 8(0,0,0,8) Details
follistatin 8(0,0,0,8) Details
succinate dehydrogenase (protein family or complex) 8(0,0,0,8) Details
aryl hydrocarbon receptor 8(0,0,1,3) Details
lactate dehydrogenase (protein family or complex) 7(0,0,0,7) Details
steroidogenic acute regulatory protein 7(0,0,0,7) Details
CYP17A1 7(0,0,0,7) Details
bcl 2 7(0,0,0,7) Details
catalase 6(0,0,0,6) Details
C33 6(0,0,1,1) Details
ngL 1 6(0,0,1,1) Details
ATPase 6(0,0,0,6) Details
transferrin 6(0,0,0,6) Details
peroxisome proliferator activated receptor gamma 6(0,0,0,6) Details
MBP (protein family or complex) 6(0,0,1,1) Details
R12 6(0,0,1,1) Details
SF 1 6(0,0,0,6) Details
HP 1 6(0,0,1,1) Details
C17 6(0,0,1,1) Details
fibroblast growth factor 2 6(0,0,1,1) Details
proliferating cell nuclear antigen 5(0,0,0,5) Details
follicle stimulating hormone (protein family or complex) 5(0,0,0,5) Details
hemoglobin (protein family or complex) 5(0,0,0,5) Details
ferritin (protein family or complex) 5(0,0,0,5) Details
beta glucuronidase 5(0,0,0,5) Details
sorbitol dehydrogenase 5(0,0,0,5) Details
c ebp beta 5(0,0,0,5) Details
TRPV1 5(0,0,0,5) Details
sex steroid binding proteins 5(0,0,0,5) Details
activin A 4(0,0,0,4) Details
interleukin 4 4(0,0,0,4) Details
lecithin cholesterol acyltransferase 4(0,0,0,4) Details
TRPA1 4(0,0,0,4) Details
CD11c 4(0,0,0,4) Details
leptin 4(0,0,0,4) Details
ERbeta 4(0,0,0,4) Details
gamma glutamyl transferase 4(0,0,0,4) Details
alkaline phosphatase 4(0,0,0,4) Details
UCHL1 4(0,0,0,4) Details
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