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CHEBI:8041 - phantomolin

ChEBI IDCHEBI:8041
ChEBI Namephantomolin
Stars
DefinitionA germacranolide isolated from Elephantopus mollis and has been shown to exhibit antineoplastic activity.
Last Modified28 July 2014
DownloadsMolfile
FormulaC21H26O6
Net Charge0
Average Mass374.433
Monoisotopic Mass374.17294
SMILES[H][C@]12OC(=O)C(=C)[C@]1([H])[C@@H](OC(=O)C(=C)C)C/C(C)=C\[C@@]1(OCC)C=C(C)[C@]2([H])O1
InChIInChI=1S/C21H26O6/c1-7-24-21-9-12(4)8-15(25-19(22)11(2)3)16-14(6)20(23)26-18(16)17(27-21)13(5)10-21/h9-10,15-18H,2,6-8H2,1,3-5H3/b12-9-/t15-,16+,17-,18-,21-/m0/s1
InChIKeyYNGLXZUKGYZCFL-YUZMFRNZSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
phantomolin (CHEBI:8041) has role antineoplastic agent (CHEBI:35610)
phantomolin (CHEBI:8041) has role metabolite (CHEBI:25212)
phantomolin (CHEBI:8041) is a cyclic ether (CHEBI:37407)
phantomolin (CHEBI:8041) is a enoate ester (CHEBI:51702)
phantomolin (CHEBI:8041) is a germacranolide (CHEBI:73011)
phantomolin (CHEBI:8041) is a organic heterotricyclic compound (CHEBI:26979)
phantomolin (CHEBI:8041) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(3aR,4S,6Z,8S,11S,11aS)-8-ethoxy-6,10-dimethyl-3-methylidene-2-oxo-2,3,3a,4,5,8,11,11a-octahydro-8,11-epoxycyclodeca[b]furan-4-yl 2-methylprop-2-enoate
Synonym  Source
PhantomolinKEGG COMPOUND
Manual XrefsDatabases
C09527KEGG COMPOUND
C00003348KNApSAcK
Registry NumbersSources
Reaxys:1663128Reaxys
CAS:55306-08-6KEGG COMPOUND
CAS:55306-08-6ChemIDplus
Citations