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CHEBI:66422 - myriaporone 3

ChEBI IDCHEBI:66422
ChEBI Namemyriaporone 3
Stars
DefinitionA member of the class of oxanes isolated from the Mediterranean bryozoan Myriapora truncata and has been shown to exhibit inhibitory activity against murine leukemia cells.
Last Modified12 April 2013
DownloadsMolfile
FormulaC19H32O7
Net Charge0
Average Mass372.458
Monoisotopic Mass372.21480
SMILES[H][C@@]1(C(=O)[C@H](CO)[C@H](O)[C@@]2(C)O[C@]2([H])[C@@H](C)/C=C\C)COC(O)(CC)C[C@@H]1O
InChIInChI=1S/C19H32O7/c1-5-7-11(3)17-18(4,26-17)16(23)12(9-20)15(22)13-10-25-19(24,6-2)8-14(13)21/h5,7,11-14,16-17,20-21,23-24H,6,8-10H2,1-4H3/b7-5-/t11-,12-,13+,14-,16-,17+,18+,19?/m0/s1
InChIKeyVJPJOSSWTOMULO-UGGJLBIYSA-N
Species of MetaboliteComponentSourceComments
Myriapora truncata (WORMS:111435) - PubMed (17284072) Myriaporone 3(hemiketal) and Myriaporone 4(hydroxy ketone)s are mixture of isomer with ratio 3:1
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)
myriaporone 3 (CHEBI:66422) has functional parent polyketide (CHEBI:26188)
myriaporone 3 (CHEBI:66422) has role antineoplastic agent (CHEBI:35610)
myriaporone 3 (CHEBI:66422) has role metabolite (CHEBI:25212)
myriaporone 3 (CHEBI:66422) is a epoxide (CHEBI:32955)
myriaporone 3 (CHEBI:66422) is a lactol (CHEBI:38131)
myriaporone 3 (CHEBI:66422) is a oxanes (CHEBI:46942)
myriaporone 3 (CHEBI:66422) is a primary alcohol (CHEBI:15734)
myriaporone 3 (CHEBI:66422) is a secondary alcohol (CHEBI:35681)
myriaporone 3 (CHEBI:66422) is a β-hydroxy ketone (CHEBI:55380)
Registry NumbersSources
Reaxys:9732280Reaxys
Citations