scilliroside

Identification (Source:EPA,EU)

ID 1763
Name scilliroside
CAS 507-60-8
IUPAC
Inchi InChI=1S/C32H44O12/c1-16(34)42-21-13-31(39)23(8-10-30(3)19(7-11-32(30,31)40)17-4-5-24(35)41-15-17)29(2)9-6-18(12-20(21)29)43-28-27(38)26(37)25(36)22(14-33)44-28/h4-5,12,15,18-19,21-23,25-28,33,36-40H,6-11,13-14H2,1-3H3/t18-,19+,21+,22+,23+,25+,26-,27+,28+,29-,30+,31-,32+/m0/s1
CIPAC 259
EPA Code 070801
Formula C32H44O12
SMILES O=C\1O\C=C(/C=C/1)C2CCC6(O)C2(C)CCC5C6(O)CC(OC(=O)C)/C4=C/C(OC3OC(C(O)C(O)C3O)CO)CCC45C
Status Not Approved

Classification

Mode of Action Toxin with stomach action
Pesticide Type Rodenticide
Chemical Group Plant derived
Classification botanical rodenticides

Properties (Source:PubChem)

Molecular Weight 620.28
Physical State Yellow crystalline solid
AlogP -0.342
H-Bond Donor 6
H-Bond Acceptor 12
Surface Area 578.26
Polar Surface Area 192.43

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
Birds Acute LD50 400 mg kg-1
Birds Acute LD50 400 mg kg-1
Mammals Acute oral LD50 0.43 mg kg-1
Mammals Acute oral LD50 0.43 mg kg-1

Related targets

Target Name RScore (About this table)
ATPase 89(1,1,1,9) Details
NA K ATPase 32(0,1,1,2) Details
chloride channel (protein family or complex) 31(0,1,1,1) Details
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