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Compound Detail

CHEMBL1774412

SALANNIN
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C/C=C(/C)C(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)CO[C@H]3[C@H]4O[C@@H]5C[C@@H](c6ccoc6)C(C)=C5[C@@]4(C)[C@H](CC(=O)OC)[C@]1(C)[C@@H]32

Basic Information

ChEMBL ID CHEMBL1774412
Name SALANNIN
Phase Preclinical
Structure Type MOL
InChI Key CJHBVBNPNXOWBA-NCVPXDMDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

596.7
MW (Da)
5.29
ALogP
9
HBA
0
HBD
110.5
PSA (Ų)
0.19
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C34H44O9
MW 596.72
Aromatic Rings 1
Heavy Atoms 43
NP-Likeness 3.28

Literature References

PubMed DOI Target Context # Activities
- 10.1271/bbb.56.1835 Reticulitermes speratus 15
- 10.1016/j.cropro.2005.01.009 Cnaphalocrocis medinalis 8
21381696 10.1021/np100783k NON-PROTEIN TARGET 2
17263463 10.1021/jf062562t Spodoptera litura 2
21381696 10.1021/np100783k HL-60 1
21381696 10.1021/np100783k A549 1
21381696 10.1021/np100783k SK-BR-3 1
12137465 10.1021/jf025534t Spodoptera litura 1

Data from ChEMBL 36 via Core Engine