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Drug Details

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Name:CHEBI:100924
PubChem ID:44327643
Pathway:Show KEGG pathways
InChI:InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19-,27-21+/t26-,28-,29-,30+,31-,32?,33-,34+,36-,37+,38+,39-,40?,44-/m1/s1
SMILES:C=CC[C@@H]1/C=C(/C)\C[C@@H](C)C[C@H](OC)C2O[C@](O)([C@@H](C[C@@H]2OC)C)C(=O)C(=O)N2[C@H](C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]1CC[C@H]([C@@H](C1)OC)O)/C)CCCC2

Properties:
Formula:C44H69NO12Atoms:57
Molecular Weight:804.018Rotatable Bonds:7
H-bond Acceptors:13H-bond Donors:3
logP:4.5769
Targets:
NameUniprot IDSourceReferencesInteraction
Calcineurin subunit B type 2CANB2_HUMANBindingDB-shows
Synonyms:
CHEBI:100924