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CHEBI:65441 - artoindonesianin E1

Default Structure
ChEBI IDCHEBI:65441
ChEBI Nameartoindonesianin E1
Stars
DefinitionAn extended flavonoid that is 6,7-dihydro-8H-chromeno[3,2-d][1]benzoxepin-8-one substituted by hydroxy groups at positions 3 and 9, a methoxy group at position 11, a (1E)-3-methylbut-1-en-1-yl group at position 10 and a prop-1-en-2-yl at position 6. It is isolated from the woods of Artocarpus elasticus and shows moderate cytotoxicity against murine leukemia P-388 cells.
Last Modified12 July 2013
DownloadsMolfile
FormulaC26H26O6
Net Charge0
Average Mass434.488
Monoisotopic Mass434.17294
SMILESC=C(C)C1Cc2c(oc3cc(OC)c(/C=C/C(C)C)c(O)c3c2=O)-c2ccc(O)cc2O1
InChIInChI=1S/C26H26O6/c1-13(2)6-8-16-20(30-5)12-22-23(24(16)28)25(29)18-11-19(14(3)4)31-21-10-15(27)7-9-17(21)26(18)32-22/h6-10,12-13,19,27-28H,3,11H2,1-2,4-5H3/b8-6+
InChIKeyKULOJVAPXYSRNQ-SOFGYWHQSA-N
Species of MetaboliteComponentSourceComments
Artocarpus elasticus (ncbitaxon:709042) xylem (BTO:0001468) PubMed (19280147) Previous component: wood;
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)
artoindonesianin E1 (CHEBI:65441) has role antineoplastic agent (CHEBI:35610)
artoindonesianin E1 (CHEBI:65441) has role metabolite (CHEBI:25212)
artoindonesianin E1 (CHEBI:65441) is a aromatic ether (CHEBI:35618)
artoindonesianin E1 (CHEBI:65441) is a extended flavonoid (CHEBI:71037)
artoindonesianin E1 (CHEBI:65441) is a organic heterotetracyclic compound (CHEBI:38163)
IUPAC Name 
3,9-dihydroxy-11-methoxy-10-[(1E)-3-methylbut-1-en-1-yl]-6-(prop-1-en-2-yl)-6,7-dihydro-8H-chromeno[3,2-d][1]benzoxepin-8-one
Citations