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CHEBI:66437 - schweinfurthin G

ChEBI IDCHEBI:66437
ChEBI Nameschweinfurthin G
Stars
DefinitionA stilbenoid that is the 3-deoxy derivative of vedelianin. Isolated from Macaranga alnifolia, it exhibits cytotoxic activity.
Last Modified26 April 2013
DownloadsMolfile
FormulaC29H36O5
Net Charge0
Average Mass464.602
Monoisotopic Mass464.25627
SMILES[H][C@]12Cc3cc(/C=C/c4cc(O)c(CC=C(C)C)c(O)c4)cc(O)c3O[C@]1(C)CC[C@@H](O)C2(C)C
InChIInChI=1S/C29H36O5/c1-17(2)6-9-21-22(30)13-19(14-23(21)31)8-7-18-12-20-16-25-28(3,4)26(33)10-11-29(25,5)34-27(20)24(32)15-18/h6-8,12-15,25-26,30-33H,9-11,16H2,1-5H3/b8-7+/t25-,26-,29-/m1/s1
InChIKeyCGJIPMVTBQUUQL-GEDZTWKOSA-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.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
schweinfurthin G (CHEBI:66437) has functional parent vedelianin (CHEBI:66352)
schweinfurthin G (CHEBI:66437) has role antineoplastic agent (CHEBI:35610)
schweinfurthin G (CHEBI:66437) has role metabolite (CHEBI:25212)
schweinfurthin G (CHEBI:66437) is a cyclic ether (CHEBI:37407)
schweinfurthin G (CHEBI:66437) is a organic heterotricyclic compound (CHEBI:26979)
schweinfurthin G (CHEBI:66437) is a resorcinols (CHEBI:33572)
schweinfurthin G (CHEBI:66437) is a stilbenoid (CHEBI:26776)
IUPAC Name 
(2R,4aR,9aR)-7-{(E)-2-[3,5-dihydroxy-4-(3-methylbut-2-en-1-yl)phenyl]ethenyl}-1,1,4a-trimethyl-2,3,4,4a,9,9a-hexahydro-1H-xanthene-2,5-diol
Synonyms  Source
3-deoxyvedelianinChEBI
(+)-(2R,4aR,9aR)-schweinfurthin GChEBI
Registry NumbersSources
Reaxys:11042130Reaxys
Citations