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Drug Details

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Name:CHEMBL46053
PubChem ID:44291629
Pathway:Show KEGG pathways
InChI:InChI=1S/C39H62O13/c1-6-7-8-9-10-14-33(42)51-37-26(20-34(43)46-5)19-31-24-32(25(2)40)50-35(44)22-27(41)21-28-12-11-13-29(48-28)23-30-16-18-47-36(49-30)15-17-38(3,4)39(37,45)52-31/h15,17,20,25,27-32,36-37,40-41,45H,6-14,16,18-19,21-24H2,1-5H3/b17-15-,26-20+/t25-,27+,28?,29?,30?,31?,32?,36?,37+,39-/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]1CCC[C@@H](C[C@@H](CC(=O)O[C@H](C2)[C@H](O)C)O)O1

Properties:
Formula:C39H62O13Atoms:52
Molecular Weight:738.902Rotatable Bonds:11
H-bond Acceptors:13H-bond Donors:3
logP:4.7148
Targets:
Synonyms:
CHEBI:169054
CHEMBL46053