Structure

InChI Key SSQPWTVBQMWLSZ-AAQCHOMXSA-N
Smile CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC
InChI
InChI=1S/C22H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h5-6,8-9,11-12,14-15,17-18H,3-4,7,10,13,16,19-21H2,1-2H3/b6-5-,9-8-,12-11-,15-14-,18-17-

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H34O2
Molecular Weight 330.51
AlogP 6.47
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 14.0
Polar Surface Area 26.3
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 24.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hypertriglyceridemia 4 D015228 ClinicalTrials
Cardiovascular Diseases 3 D002318 ClinicalTrials
Severe Acute Respiratory Syndrome 3 D045169 ClinicalTrials
Non-alcoholic Fatty Liver Disease 2 D065626 ClinicalTrials
Colonic Neoplasms 2 D003110 ClinicalTrials
Alzheimer Disease 2 D000544 ClinicalTrials
Adenoma 2 D000236 ClinicalTrials

Related Entries

MCS

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Gastrointestinal disorders
18.78
Product issues
12.41
General disorders and administration site conditions
9.77
Injury, poisoning and procedural complications
9.37
Musculoskeletal and connective tissue disorders
9.05
Investigations
7.65
Nervous system disorders
6.61
Skin and subcutaneous tissue disorders
4.85
Respiratory, thoracic and mediastinal disorders
3.4
Cardiac disorders
3.28
Vascular disorders
3.28

Cross References

Resources Reference
CAS NUMBER 86227-47-6
ChEBI 84883
ChEMBL CHEMBL2095209
DrugBank DB08887
DrugCentral 1413
FDA SRS 6GC8A4PAYH
Human Metabolome Database HMDB0039530
Guide to Pharmacology 7441
KEGG C16184
PubChem 9831415
SureChEMBL SCHEMBL123305
ZINC ZINC000003785276