CHEBI:520527 - elephantin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name elephantin
ChEBI ID CHEBI:520527
Definition A germacrane sesquiterpenoid tumour inhibitor isolated from Elephantopus elatus.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:4772, CHEBI:592277
Supplier Information
Download Molfile XML SDF
Formula C20H22O7
Net Charge 0
Average Mass 374.38450
Monoisotopic Mass 374.13655
InChI InChI=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
InChIKey HSTUUCOYVIWGLJ-DXUAHVLSSA-N
SMILES CC(C)=CC(=O)O[C@H]1CC2=C[C@@H](C[C@@]3(C)O[C@@H]3[C@H]3OC(=O)C(=C)[C@H]13)OC2=O
Roles Classification
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
elephantin ChEMBL
Elephantin KEGG COMPOUND
Manual Xrefs Databases
C00000311 KNApSAcK
C09402 KEGG COMPOUND
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Registry Numbers Types Sources
1692285 Reaxys Registry Number Reaxys
21899-50-3 CAS Registry Number KEGG COMPOUND
21899-50-3 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
17336532 PubMed citation ChEMBL
18329753 PubMed citation ChEMBL
5357527 PubMed citation Europe PMC
Last Modified
28 July 2014