ULA

ULAPUALIDE A

Created: 2004-02-09
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count129
Chiral Atom Count11
Bond Count132
Aromatic Bond Count17
2D diagram of ULA
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Chemical Component Summary

NameULAPUALIDE A
Systematic Name (OpenEye OEToolkits)n/a
FormulaC46 H66 N4 O13
Molecular Weight883.035
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(OC(C(/C=C\N(C)CO)C)C(C(=O)CCC(C)C(OC)CC4OC(=O)CC(O)CCCC(=O)CC(c1nc(oc1)c2nc(oc2)c3nc(oc3)C=CCC(OC)C4C)C)C)C
SMILESCACTVS3.341CO[CH](C[CH]1OC(=O)C[CH](O)CCCC(=O)C[CH](C)c2coc(n2)c3coc(n3)c4coc(C=CC[CH](OC)[CH]1C)n4)[CH](C)CCC(=O)[CH](C)C(OC(C)=O)C(C)C=CN(C)CO
SMILESOpenEye OEToolkits1.5.0CC1CC(=O)CCCC(CC(=O)OC(C(C(CC=Cc2nc(co2)-c3nc(co3)-c4nc1co4)OC)C)CC(C(C)CCC(=O)C(C)C(C(C)C=CN(C)CO)OC(=O)C)OC)O
Canonical SMILESCACTVS3.341 CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)CCCC(=O)C[C@H](C)c2coc(n2)c3coc(n3)c4coc(\C=C\C[C@H](OC)[C@H]1C)n4)[C@@H](C)CCC(=O)[C@@H](C)C(OC(C)=O)C(C)C=CN(C)CO
Canonical SMILESOpenEye OEToolkits1.5.0 C[C@H]1CC(=O)CCC[C@@H](CC(=O)O[C@H]([C@@H]([C@H](C\C=C\c2nc(co2)-c3nc(co3)-c4nc1co4)OC)C)C[C@@H]([C@@H](C)CCC(=O)[C@@H](C)[C@H]([C@H](C)C=C[N@](C)CO)OC(=O)C)OC)O
InChIInChI1.03 InChI=1S/C46H66N4O13/c1-27(16-17-38(55)30(4)44(62-32(6)52)28(2)18-19-50(7)26-51)40(58-9)22-41-31(5)39(57-8)14-11-15-42-47-36(24-59-42)45-49-37(25-61-45)46-48-35(23-60-46)29(3)20-33(53)12-10-13-34(54)21-43(56)63-41/h11,15,18-19,23-25,27-31,34,39-41,44,51,54H,10,12-14,16-17,20-22,26H2,1-9H3/b15-11+,19-18?/t27-,28?,29-,30+,31+,34-,39-,40-,41-,44?/m0/s1
InChIKeyInChI1.03 DIOFXPZEAVIPDB-GSMFZUCRSA-N

Drug Info: DrugBank

DrugBank IDDB03021 
NameUlapualide A
Groups experimental
SynonymsUlapualide A
CategoriesIonophores

Drug Targets

NameTarget SequencePharmacological ActionActions
Actin, alpha skeletal muscleMCDEDETTALVCDNGSGLVKAGFAGDDAPRAVFPSIVGRPRHQGVMVGMG...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 137350088