Structure

InChI Key GGXICVAJURFBLW-CEYXHVGTSA-N
Smile CC(C)OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1ccccc1
InChI
InChI=1S/C26H40O5/c1-19(2)31-26(30)13-9-4-3-8-12-22-23(25(29)18-24(22)28)17-16-21(27)15-14-20-10-6-5-7-11-20/h3,5-8,10-11,19,21-25,27-29H,4,9,12-18H2,1-2H3/b8-3-/t21-,22+,23+,24-,25+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H40O5
Molecular Weight 432.6
AlogP 4.19
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 13.0
Polar Surface Area 86.99
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 31.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Prostanoid FP receptor agonist FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Meniere Disease 2 D008575 ClinicalTrials
Vitiligo 2 D014820 ClinicalTrials

Related Entries

MCS

Scaffolds

Mixture

Side Effects from Label

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Eye disorders
26.82
Nervous system disorders
11.47
General disorders and administration site conditions
9.5
Injury, poisoning and procedural complications
7.32
Respiratory, thoracic and mediastinal disorders
4.96
Investigations
4.09
Musculoskeletal and connective tissue disorders
3.99
Skin and subcutaneous tissue disorders
3.96
Vascular disorders
3.81
Product issues
3.57
Cardiac disorders
3.48
Psychiatric disorders
2.91
Immune system disorders
2.68
Gastrointestinal disorders
2.65
Infections and infestations
2.52

Cross References

Resources Reference
CAS NUMBER 130209-82-4
ChEBI 6384
ChEMBL CHEMBL1051
DrugBank DB00654
DrugCentral 1551
EPA CompTox DTXSID1041057
FDA SRS 6Z5B6HVF6O
Human Metabolome Database HMDB0014792
Guide to Pharmacology 1961
KEGG D00356
PubChem 5311221
SureChEMBL SCHEMBL24698
ZINC ZINC000012468792