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Substance Name: Squalestatin 1
RN: 142561-96-4
UNII: 1117HVX02L
InChIKey: DFKDOZMCHOGOBR-NCSQYGPNSA-N

Note

  • Inhibits both mammalian and fungal squalene synthetase; from fungus Phoma sp (Coelomycetes).

Molecular Formula

  • C35-H46-O14

Molecular Weight

  • 690.734
 

Classification Codes

  • Anti-Infective Agents
  • Anticholesteremic Agents
  • Antifungal Agents
  • Antimetabolites
  • Enzyme Inhibitors
  • Hypolipidemic Agents
  • Lipid Regulating Agents
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Names and Synonyms

Name of Substance

  • Squalestatin 1

Synonyms

  • UNII-1117HVX02L
  • Zaragozic acid A

Systematic Name

  • L-erythro-L-glycero-D-altro-7-Trideculo-7,4-furanosonic acid, 2,7-anhydro-3,4-di-C-carboxy-8,9,10,12,13-pentadeoxy-10-methylene-12-(phenylmethyl)-, 11-acetate 5-(4,6-dimethyl-2-octenoate), (5(2E,4S,6S),7S)-

Registry Numbers

CAS Registry Number

  • 142561-96-4

FDA UNII

  • 1117HVX02L

System Generated Number

  • 0142561964

Structure Descriptors

InChI

1S/C35H46O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-14,19-20,22,26-29,38,45H,4,7,15-18H2,1-3,5-6H3,(H,39,40)(H,41,42)(H,43,44)/b14-13+/t19-,20+,22+,26+,27+,28+,29+,33-,34+,35-/m0/s1

InChIKey

DFKDOZMCHOGOBR-NCSQYGPNSA-N

Smiles

O1[C@@]2(O[C@@H]([C@]([C@]1([C@@H]([C@H]2O)OC(\C=C\[C@H](C[C@H](CC)C)C)=O)C(=O)O)(C(=O)O)O)C(=O)O)CCC([C@@H](OC(=O)C)[C@@H](Cc1ccccc1)C)=C