EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:65836 - 2β-methoxy-2-deethoxy-8-O-deacylphantomolin-8-O-tiglinate

ChEBI IDCHEBI:65836
ChEBI Name2β-methoxy-2-deethoxy-8-O-deacylphantomolin-8-O-tiglinate
Stars
ASCII Name2beta-methoxy-2-deethoxy-8-O-deacylphantomolin-8-O-tiglinate
DefinitionA germacranolide isolated from Elephantopus mollis and has been shown to exhibit antineoplastic activity.
Last Modified19 August 2013
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/[C@@]1(OC)C=C(C)[C@]2([H])O1
InChIInChI=1S/C21H26O6/c1-7-12(3)19(22)25-15-8-11(2)9-21(24-6)10-13(4)17(27-21)18-16(15)14(5)20(23)26-18/h7,9-10,15-18H,5,8H2,1-4,6H3/b11-9+,12-7+/t15-,16+,17-,18-,21-/m0/s1
InChIKeyAFBZZDSPQOILGX-FIPHPDLKSA-N
Species of MetaboliteComponentSourceComments
Elephantopus mollis (ncbitaxon:318057)
stem (BTO:0001300) PubMed (18239317)
root (BTO:0001188) PubMed (18239317)
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)
2β-methoxy-2-deethoxy-8-O-deacylphantomolin-8-O-tiglinate (CHEBI:65836) has functional parent tiglic acid (CHEBI:9592)
2β-methoxy-2-deethoxy-8-O-deacylphantomolin-8-O-tiglinate (CHEBI:65836) has role antineoplastic agent (CHEBI:35610)
2β-methoxy-2-deethoxy-8-O-deacylphantomolin-8-O-tiglinate (CHEBI:65836) has role metabolite (CHEBI:25212)
2β-methoxy-2-deethoxy-8-O-deacylphantomolin-8-O-tiglinate (CHEBI:65836) is a cyclic ether (CHEBI:37407)
2β-methoxy-2-deethoxy-8-O-deacylphantomolin-8-O-tiglinate (CHEBI:65836) is a enoate ester (CHEBI:51702)
2β-methoxy-2-deethoxy-8-O-deacylphantomolin-8-O-tiglinate (CHEBI:65836) is a germacranolide (CHEBI:73011)
2β-methoxy-2-deethoxy-8-O-deacylphantomolin-8-O-tiglinate (CHEBI:65836) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(3aR,4S,6E,8S,11S,11aS)-8-methoxy-6,10-dimethyl-3-methylidene-2-oxo-2,3,3a,4,5,8,11,11a-octahydro-8,11-epoxycyclodeca[b]furan-4-yl (2E)-2-methylbut-2-enoate
Registry NumbersSources
Reaxys:9875949Reaxys
Citations