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CHEBI:66435 - schweinfurthin E

ChEBI IDCHEBI:66435
ChEBI Nameschweinfurthin E
Stars
DefinitionA stilbenoid that is the 5-O-methyl ether derivative of vedelianin. Isolated from Macaranga alnifolia, it exhibits cytotoxic activity.
Last Modified26 April 2013
DownloadsMolfile
FormulaC30H38O6
Net Charge0
Average Mass494.628
Monoisotopic Mass494.26684
SMILES[H][C@]12Cc3cc(/C=C/c4cc(O)c(CC=C(C)C)c(O)c4)cc(OC)c3O[C@]1(C)C[C@@H](O)[C@@H](O)C2(C)C
InChIInChI=1S/C30H38O6/c1-17(2)7-10-21-22(31)12-19(13-23(21)32)9-8-18-11-20-15-26-29(3,4)28(34)24(33)16-30(26,5)36-27(20)25(14-18)35-6/h7-9,11-14,24,26,28,31-34H,10,15-16H2,1-6H3/b9-8+/t24-,26-,28-,30-/m1/s1
InChIKeyIYHZCJNEODJYKB-DMCZWXATSA-N
Species of MetaboliteComponentSourceComments
Macaranga alnifolia (ncbitaxon:396448) fruit (BTO:0000486) PubMed (17326683)
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.
ChEBI Ontology
Outgoing Relation(s)
schweinfurthin E (CHEBI:66435) has functional parent vedelianin (CHEBI:66352)
schweinfurthin E (CHEBI:66435) has role metabolite (CHEBI:25212)
schweinfurthin E (CHEBI:66435) is a cyclic ether (CHEBI:37407)
schweinfurthin E (CHEBI:66435) is a organic heterotricyclic compound (CHEBI:26979)
schweinfurthin E (CHEBI:66435) is a resorcinols (CHEBI:33572)
schweinfurthin E (CHEBI:66435) is a stilbenoid (CHEBI:26776)
IUPAC Name 
(2S,3R,4aR,9aR)-7-{(E)-2-[3,5-dihydroxy-4-(3-methylbut-2-en-1-yl)phenyl]ethenyl}-5-methoxy-1,1,4a-trimethyl-2,3,4,4a,9,9a-hexahydro-1H-xanthene-2,3-diol
Synonym  Source
5-O-methylvedelianinChEBI
Registry NumbersSources
Reaxys:11042129Reaxys
Citations