Home
Drugs
Targets
Pathways
Ontologies
Cyp450s
Adv.search
Help/FAQ

Drug Details

add
Name:CHEMBL45053
PubChem ID:44291669
Pathway:Show KEGG pathways
InChI:InChI=1S/C40H66O13/c1-9-10-11-12-13-14-33(43)52-37-27(22-34(44)47-8)21-30-24-31(26(2)41)51-35(45)23-28(42)16-19-48-32(38(3,4)5)25-29-17-20-49-36(50-29)15-18-39(6,7)40(37,46)53-30/h15,18,22,26,28-32,36-37,41-42,46H,9-14,16-17,19-21,23-25H2,1-8H3/b18-15-,27-22+/t26-,28-,29?,30?,31?,32?,36?,37+,40-/m1/s1
SMILES:CCCCCCCC(=O)O[C@H]1/C(=C/C(=O)OC)/CC2O[C@@]1(O)C(C)(C)/C=C\[C@H]1OCC[C@H](O1)C[C@H](OCC[C@H](CC(=O)O[C@H](C2)[C@H](O)C)O)C(C)(C)C

Properties:
Formula:C40H66O13Atoms:53
Molecular Weight:754.944Rotatable Bonds:12
H-bond Acceptors:13H-bond Donors:3
logP:5.2084
Targets:
Synonyms:
CHEBI:169134
CHEMBL45053