Structure

InChI Key REOZWEGFPHTFEI-JKSUJKDBSA-N
Smiles C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCC)cc1O
InChI
InChI=1S/C19H26O2/c1-5-6-14-10-17(20)19(18(21)11-14)16-9-13(4)7-8-15(16)12(2)3/h9-11,15-16,20-21H,2,5-8H2,1,3-4H3/t15-,16+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H26O2
Molecular Weight 286.42
AlogP 5.07
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 40.46
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 21.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 574 -
Rattus norvegicus
420 900 - - -

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL2387742
DrugBank DB14050
FDA SRS I198VBV98I
PubChem 11601669
SureChEMBL SCHEMBL2759238
ZINC ZINC000005844413