thuringiensin

Identification (Source:EPA,EU)

ID 310
Name thuringiensin
CAS 23526-02-5
IUPAC
Inchi InChI=1S/C22H32N5O19P/c23-17-7-18(25-3-24-17)27(4-26-7)19-10(31)8(29)6(43-19)2-42-14-5(1-28)44-22(11(32)9(14)30)45-16(21(37)38)12(33)15(13(34)20(35)36)46-47(39,40)41/h3-6,8-16,19,22,28-34H,1-2H2,(H,35,36)(H,37,38)(H2,23,24,25)(H2,39,40,41)/t5-,6+,8+,9-,10+,11-,12-,13+,14-,15+,16-,19+,22-/m1/s1
CIPAC
EPA Code
Formula C22H32N5O19P
SMILES P(=O)(O[H])(O[H])OC([H])(C([H])(C(=O)O[H])O[H])C([H])(C([H])(C(=O)O[H])OC([H])(C([H])(C([H])(C([H])(C1([H])C([H])([H])O[H])OC([H])([H])C2([H])C([H])(C([H])(C([H])(n3c([H])nc(c(N([H])[H])nc([H])n4)c34)O2)O[H])O[H])O[H])O[H])O1)O[H]
Status Not Available

Classification

Mode of Action
Pesticide Type
Chemical Group
Classification unclassified acaricides
unclassified insecticides

Properties (Source:PubChem)

Molecular Weight 701.48534
Physical State
AlogP -5.618
H-Bond Donor 12
H-Bond Acceptor 23
Surface Area 631.64
Polar Surface Area 399.31

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)
adenylate cyclase 498(6,6,8,8) Details
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Node List

ID Name Type

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