benzyladenine

Identification (Source:EPA,EU)

ID 1698
Name benzyladenine
CAS 1214-39-7
IUPAC
Inchi InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)
CIPAC
EPA Code
Formula C12H11N5
SMILES N([H])(c1c2c(nc([H])n1)nc([H])n2[H])C([H])([H])c3c([H])c([H])c([H])c([H])c3[H]
Status Approved

Classification

Mode of Action
Pesticide Type
Chemical Group
Classification cytokinins

Properties (Source:PubChem)

Molecular Weight 225.24923
Physical State
AlogP 1.221
H-Bond Donor 2
H-Bond Acceptor 4
Surface Area 218.64
Polar Surface Area 66.49

Structure



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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)
phosphodiesterase 4 230(2,4,4,10) Details
cyclin 172(2,2,2,12) Details
CBP1 120(1,2,2,10) Details
Adenine phosphoribosyltransferase 116(1,2,2,6) Details
transferase 86(1,1,1,6) Details
cytochrome P450 (protein family or complex) 84(1,1,1,4) Details
albumin 83(1,1,1,3) Details
protein kinase A (protein family or complex) 82(1,1,1,2) Details
cyclin dependent kinase (protein family or complex) 66(0,2,2,6) Details
ACS1 46(0,1,2,11) Details
PH2 42(0,1,2,7) Details
cytochrome c 37(0,1,1,7) Details
superoxide dismutase 36(0,1,1,6) Details
ACO1 36(0,1,1,6) Details
adenylate cyclase 34(0,1,1,4) Details
MDR1 33(0,1,1,3) Details
tyrosyl tRNA synthetase 31(0,1,1,1) Details
tumor necrosis factor alpha 31(0,1,1,1) Details
Lag 31(0,1,1,1) Details
casein 18(0,0,2,8) Details
per 1 17(0,0,2,7) Details
beta glucuronidase 14(0,0,0,14) Details
ACS3 10(0,0,1,5) Details
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