SENECIPHYLLINE

/static/temp/default.svg Search structure
Synonyms
Molecule Category Free-form
UNII 0ZYZ9L5454
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key FCEVNJIUIMLVML-QPSVUOIXSA-N
Smiles C\C=C/1\CC(=C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
InChI
InChI=1S/C18H23NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,14-15,22H,2,6-10H2,1,3H3/b12-4-/t14-,15-,18-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H23NO5
Molecular Weight 333.38
AlogP 1.68
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Polar Surface Area 76.07
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 24.0

Cross References

Resources Reference
ChEMBL CHEMBL523911
FDA SRS 0ZYZ9L5454
PubChem 5281750
SureChEMBL SCHEMBL177867
ZINC ZINC04098698
CONTENTS