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CHEBI:66438 - schweinfurthin H

ChEBI IDCHEBI:66438
ChEBI Nameschweinfurthin H
Stars
DefinitionA stilbenoid isolated from Macaranga alnifolia and has been shwon to exhibit cytotoxic activity.
Last Modified26 April 2013
DownloadsMolfile
FormulaC30H38O7
Net Charge0
Average Mass510.627
Monoisotopic Mass510.26175
SMILES[H][C@]12Cc3cc(/C=C/c4cc(O)c5c(c4)OC(C)(C)C(O)C5)cc(OC)c3O[C@]1(C)C[C@@H](O)[C@@H](O)C2(C)C
InChIInChI=1S/C30H38O7/c1-28(2)24-13-18-9-16(12-23(35-6)26(18)37-30(24,5)15-21(32)27(28)34)7-8-17-10-20(31)19-14-25(33)29(3,4)36-22(19)11-17/h7-12,21,24-25,27,31-34H,13-15H2,1-6H3/b8-7+/t21-,24-,25?,27-,30-/m1/s1
InChIKeyRFLJGOACFXZRHJ-ZHIKFPNPSA-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 H (CHEBI:66438) has role antineoplastic agent (CHEBI:35610)
schweinfurthin H (CHEBI:66438) has role metabolite (CHEBI:25212)
schweinfurthin H (CHEBI:66438) is a chromanes (CHEBI:23230)
schweinfurthin H (CHEBI:66438) is a organic heterotricyclic compound (CHEBI:26979)
schweinfurthin H (CHEBI:66438) is a phenols (CHEBI:33853)
schweinfurthin H (CHEBI:66438) is a stilbenoid (CHEBI:26776)
IUPAC Name 
(2S,3R,4aR,9aR)-7-[(E)-2-(3,5-dihydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-7-yl)ethenyl]-5-methoxy-1,1,4a-trimethyl-2,3,4,4a,9,9a-hexahydro-1H-xanthene-2,3-diol
Registry NumbersSources
Reaxys:11042131Reaxys
Citations