Structure

InChI Key JKQXZKUSFCKOGQ-QAYBQHTQSA-N
Smile CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1
InChI
InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C40H56O2
Molecular Weight 568.89
AlogP 10.55
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 10.0
Polar Surface Area 40.46
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 42.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Glaucoma 1 D005901 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 144-68-3
ChEBI 27547
ChEMBL CHEMBL2359248
DrugBank DB11176
EPA CompTox DTXSID5046807
FDA SRS CV0IB81ORO
KEGG C06098
PubChem 5280899
SureChEMBL SCHEMBL19442
ZINC ZINC000008220175