CHEBI:8041 - phantomolin

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ChEBI Name phantomolin
ChEBI ID CHEBI:8041
Definition A germacranolide isolated from Elephantopus mollis and has been shown to exhibit antineoplastic activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C21H26O6
Net Charge 0
Average Mass 374.42750
Monoisotopic Mass 374.17294
InChI InChI=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
InChIKey YNGLXZUKGYZCFL-YUZMFRNZSA-N
SMILES [H][C@@]12O[C@@](OCC)(\C=C(C)/C[C@H](OC(=O)C(C)=C)[C@@]3([H])C(=C)C(=O)O[C@]13[H])C=C2C
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing phantomolin (CHEBI:8041) has role antineoplastic agent (CHEBI:35610)
phantomolin (CHEBI:8041) has role metabolite (CHEBI:25212)
phantomolin (CHEBI:8041) is a γ-lactone (CHEBI:37581)
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)
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
Phantomolin KEGG COMPOUND
Manual Xrefs Databases
C00003348 KNApSAcK
C09527 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
1663128 Reaxys Registry Number Reaxys
55306-08-6 CAS Registry Number KEGG COMPOUND
55306-08-6 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
7411406 PubMed citation Europe PMC
Last Modified
28 July 2014