Structure

InChI Key XXUPXHKCPIKWLR-JHUOEJJVSA-N
Smile CCCCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC(C)C
InChI
InChI=1S/C25H44O5/c1-4-5-6-7-10-13-20(26)16-17-22-21(23(27)18-24(22)28)14-11-8-9-12-15-25(29)30-19(2)3/h8,11,19,21-24,27-28H,4-7,9-10,12-18H2,1-3H3/b11-8-/t21-,22-,23+,24-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H44O5
Molecular Weight 424.62
AlogP 5.12
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 16.0
Polar Surface Area 83.83
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 30.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Retinitis Pigmentosa 3 D012174 ClinicalTrials
Macular Degeneration 2 D008268 ClinicalTrials

Related Entries

MCS

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Eye disorders
45.0
Nervous system disorders
15.0
General disorders and administration site conditions
10.0
Immune system disorders
10.0
Cardiac disorders
5.0
Infections and infestations
5.0
Injury, poisoning and procedural complications
5.0
Skin and subcutaneous tissue disorders
5.0

Cross References

Resources Reference
ChEBI 31731
ChEMBL CHEMBL1200661
DrugCentral 2794
EPA CompTox DTXSID5049071
FDA SRS 5M161S5O5P
Guide to Pharmacology 8282
PubChem 5282175
SureChEMBL SCHEMBL192726
ZINC ZINC000014234780