brassinolide

Identification (Source:EPA,EU)

ID 1736
Name brassinolide
CAS 72962-43-7
IUPAC
Inchi InChI=1S/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16-,17-,18+,19-,20-,21+,22-,23+,24+,25+,27+,28+/m0/s1
CIPAC
EPA Code
Formula C28H48O6
SMILES C1(=O)OC[C@@H]2[C@@H]([C@@]3(C)C[C@H]([C@@H](O)C[C@H]13)O)CC[C@@]1(C)[C@H]2CC[C@@H]1[C@H](C)[C@H]([C@@H]([C@H](C(C)C)C)O)O
Status Not Available

Classification

Mode of Action Oligodynamic and rapid, affects specific target tissues that are sensitive to the plant hormone indole-3-acetic acid (IAA)
Pesticide Type Plant growth regulator
Chemical Group Polyhydroxysteroid
Classification growth stimulators

Properties (Source:PubChem)

Molecular Weight 480.68
Physical State White to pale yellow powder
AlogP 3.572
H-Bond Donor 4
H-Bond Acceptor 6
Surface Area 488.71
Polar Surface Area 107.22

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

Ecotoxicology (Source:PPDB,IPM)

Species Method Study Time Dose Type Value
Mammals Acute oral LD50 > 2000 mg kg-1

Related targets

Target Name RScore (About this table)
cytochrome P450 (protein family or complex) 195(2,2,3,30) Details
bet 174(2,2,2,14) Details
BAK1 349(1,8,8,59) Details
aquaporin (protein family or complex) 101(1,1,3,11) Details
SERK1 93(1,1,2,8) Details
transmembrane receptor 88(1,1,1,8) Details
C23 82(1,1,1,2) Details
GA19 81(1,1,1,1) Details
bcl 2 81(1,1,1,1) Details
MSBP1 38(0,1,1,8) Details
14 3 3 37(0,1,1,7) Details
AC1 34(0,1,1,4) Details
ES1 33(0,1,1,3) Details
cyclin 33(0,1,1,3) Details
mitogen activated protein kinase (protein family or complex) 32(0,1,1,2) Details
pyruvate carboxylase 31(0,1,1,1) Details
phospholipase D (protein family or complex) 31(0,1,1,1) Details
glutamate receptor 31(0,1,1,1) Details
P glycoprotein 31(0,1,1,1) Details
BIN2 26(0,0,0,26) Details
PC 3 24(0,0,4,4) Details
G protein 16(0,0,0,16) Details
DR5 10(0,0,1,5) Details
Docunmentation of Network Visuallization

Network initializing...Please wait

Node List

ID Name Type

Legend:

: Current entry node; : Target node; : Compound node;