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CHEBI:66201 - (+)-tephrosone

ChEBI IDCHEBI:66201
ChEBI Name(+)-tephrosone
Stars
DefinitionA member of the class of chalcones isolated from Tephrosia purpurea and has been shown to exhibit antineoplastic activity.
Last Modified15 April 2015
DownloadsMolfile
FormulaC21H20O5
Net Charge0
Average Mass352.386
Monoisotopic Mass352.13107
SMILES[H][C@]12Oc3ccc(C(=O)/C=C/c4ccccc4)c(O)c3[C@@]1([H])[C@H](O)C(C)(C)O2
InChIInChI=1S/C21H20O5/c1-21(2)19(24)17-16-15(25-20(17)26-21)11-9-13(18(16)23)14(22)10-8-12-6-4-3-5-7-12/h3-11,17,19-20,23-24H,1-2H3/b10-8+/t17-,19-,20+/m0/s1
InChIKeyBIKNREOOENVYGF-ZLMOQVSZSA-N
Species of MetaboliteComponentSourceComments
Tephrosia purpurea (ncbitaxon:228354) - PubMed (10814365)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
(+)-tephrosone (CHEBI:66201) has role antineoplastic agent (CHEBI:35610)
(+)-tephrosone (CHEBI:66201) has role plant metabolite (CHEBI:76924)
(+)-tephrosone (CHEBI:66201) is a chalcones (CHEBI:23086)
(+)-tephrosone (CHEBI:66201) is a cyclic ether (CHEBI:37407)
(+)-tephrosone (CHEBI:66201) is a organic heterotricyclic compound (CHEBI:26979)
(+)-tephrosone (CHEBI:66201) is a phenols (CHEBI:33853)
(+)-tephrosone (CHEBI:66201) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(2E)-1-[(3S,3aS,8aR)-3,4-dihydroxy-2,2-dimethyl-2,3,3a,8a-tetrahydrofuro[2,3-b][1]benzofuran-5-yl]-3-phenylprop-2-en-1-one
Synonym  Source
(+)-(2''R,3''S,4''S)-[2'',3''-b]-dihydrofurano-5'',5''-dimethyl[4',5'-h]-6'-hydroxy-4''-tetrahydrofuranohydroxychalconeChEBI
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