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CHEBI:520527 - elephantin

ChEBI IDCHEBI:520527
ChEBI Nameelephantin
Stars
DefinitionA germacrane sesquiterpenoid tumour inhibitor isolated from Elephantopus elatus.
Secondary ChEBI IDsCHEBI:4772, CHEBI:592277
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H22O7
Net Charge0
Average Mass374.389
Monoisotopic Mass374.13655
SMILESC=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)C=C(C)C)CC1=C[C@@H](C[C@@]3(C)O[C@H]23)OC1=O
InChIInChI=1S/C20H22O7/c1-9(2)5-14(21)25-13-7-11-6-12(24-19(11)23)8-20(4)17(27-20)16-15(13)10(3)18(22)26-16/h5-6,12-13,15-17H,3,7-8H2,1-2,4H3/t12-,13-,15+,16-,17+,20+/m0/s1
InChIKeyHSTUUCOYVIWGLJ-DXUAHVLSSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
elephantin (CHEBI:520527) has role antineoplastic agent (CHEBI:35610)
elephantin (CHEBI:520527) is a germacrane sesquiterpenoid (CHEBI:68588)
IUPAC Name 
(1aR,1bS,4aR,5S,10R,11aR)-11a-methyl-4-methylidene-3,8-dioxodecahydro-10,7-(metheno)furo[2,3-f]oxireno[d]oxacycloundecin-5(8H)-yl 3-methylbut-2-enoate
Synonyms  Source
ElephantinKEGG COMPOUND
elephantinChEMBL
Manual XrefsDatabases
C09402KEGG COMPOUND
C00000311KNApSAcK
Registry NumbersSources
Reaxys:1692285Reaxys
CAS:21899-50-3KEGG COMPOUND
CAS:21899-50-3ChemIDplus
Citations