Structure

InChI Key NPAGDVCDWIYMMC-IZPLOLCNSA-N
Smiles C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@H]2O
InChI
InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3/t13-,14+,15+,16-,17-,18-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H26O2
Molecular Weight 274.4
AlogP 3.49
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 37.3
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 20.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - 501.19 - 79.3

Related Entries

Cross References

Resources Reference
ChEBI 7466
ChEMBL CHEMBL757
DrugBank DB13169
DrugCentral 1879
FDA SRS 6PG9VR430D
Human Metabolome Database HMDB0002725
Guide to Pharmacology 6949
KEGG C07254
PDB 6VW
PharmGKB PA164746281
PubChem 9904
SureChEMBL SCHEMBL20140
ZINC ZINC000003814379