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Drug Details

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Name:bruguierins A
PubChem ID:11513260
Pathway:Show KEGG pathways
InChI:InChI=1S/C48H86O4/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-43(50)52-42-35-41(49)48(9)39(44(42,4)5)31-34-46(7)40(48)29-28-37-38(30-33-45(37,46)6)47(8,51)32-25-26-36(2)3/h26,37-42,49,51H,10-25,27-35H2,1-9H3/t37?,38?,39?,40?,41-,42+,45-,46-,47+,48+/m1/s1
SMILES:CCCCCCCCCCCCCCCCCC(=O)O[C@H]1C[C@@H](O)[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC[C@H]2[C@@]1(C)CC[C@@H]2[C@](CCC=C(C)C)(O)C)C)C

Properties:
Formula:C48H86O4Atoms:52
Molecular Weight:727.194Rotatable Bonds:22
H-bond Acceptors:4H-bond Donors:2
logP:13.313
Targets:
NameUniprot IDSourceReferencesInteraction
Prostaglandin G/H synthase 2PGH2_HUMANBindingDB-shows
Synonyms:
()-oxazepam hemisuccinate sodium salt
BRUGUIERIN A
bruguierins A
CHEBI:581665
CHEMBL504631
CID11513260