Structure

InChI Key OAIJSZIZWZSQBC-GYZMGTAESA-N
Smile CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CCC=C(C)C
InChI
InChI=1S/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,32-18+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+

Physicochemical Descriptors

Property Name Value
Molecular Formula C40H56
Molecular Weight 536.89
AlogP 12.94
Hydrogen Bond Acceptor 0.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 16.0
Polar Surface Area 0.0
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 40.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Atherosclerosis 3 D050197 ClinicalTrials
Coronary Disease 3 D003327 ClinicalTrials
Prostatic Hyperplasia 2 D011470 ClinicalTrials
Prostatic Neoplasms 2 D011471 ClinicalTrials
Periodontal Pocket 2 D010514 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 2 D064129 ClinicalTrials
Lichen Planus 2 D008010 ClinicalTrials
Prostatic Intraepithelial Neoplasia 1 D019048 ClinicalTrials
Periodontitis 1 D010518 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 502-65-8
ChEBI 15948
ChEMBL CHEMBL501174
DrugBank DB11231
DrugCentral 4617
EPA CompTox DTXSID2046593
FDA SRS SB0N2N0WV6
KEGG C05432
PDB LYC
PubChem 446925
SureChEMBL SCHEMBL20158
ZINC ZINC000008214943