Structure

InChI Key VLPFTAMPNXLGLX-UHFFFAOYSA-N
Smile CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC
InChI
InChI=1S/C27H50O6/c1-4-7-10-13-16-19-25(28)31-22-24(33-27(30)21-18-15-12-9-6-3)23-32-26(29)20-17-14-11-8-5-2/h24H,4-23H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H50O6
Molecular Weight 470.69
AlogP 7.07
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 23.0
Polar Surface Area 78.9
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 33.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Alzheimer Disease 3 D000544 ClinicalTrials
Memory Disorders 2 D008569 ClinicalTrials
Migraine Disorders 2 D008881 ClinicalTrials
Spasms, Infantile 1 D013036 ClinicalTrials

Cross References

Resources Reference
ChEBI 76978
ChEMBL CHEMBL1406148
DrugBank DB12176
EPA CompTox DTXSID6021375
FDA SRS 6P92858988
Human Metabolome Database HMDB0011187
SureChEMBL SCHEMBL61958
ZINC ZINC000008214697