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CHEBI:65488 - BF 4

ChEBI IDCHEBI:65488
ChEBI NameBF 4
Stars
DefinitionAn organic heterotetracyclic compound that is 2,3,10,12-tetrahydro-4H,11H-pyrano[2,3-a]xanthene-4,11-dione substituted by methyl groups at positions 6, 8, 10, and 10, and by hydroxy, isopropyl, methoxy, phenyl, and groups at positions 5, 12, 9, and 2, respectively (the S,S-enantiomer). It is isolated from the leaves of Baeckea frutescens and exhibits cytotoxicity against leukemia cells.
Last Modified20 November 2012
DownloadsMolfile
FormulaC30H32O6
Net Charge0
Average Mass488.580
Monoisotopic Mass488.21989
SMILESCOC1=C(C)C2=C(C(=O)C1(C)C)[C@@H](C(C)C)c1c(c(C)c(O)c3c1O[C@H](c1ccccc1)CC3=O)O2
InChIInChI=1S/C30H32O6/c1-14(2)20-22-25(36-26-16(4)29(34-7)30(5,6)28(33)23(20)26)15(3)24(32)21-18(31)13-19(35-27(21)22)17-11-9-8-10-12-17/h8-12,14,19-20,32H,13H2,1-7H3/t19-,20-/m0/s1
InChIKeyNJQFCQXFOHVYQJ-PMACEKPBSA-N
Species of MetaboliteComponentSourceComments
Baeckea frutescens (ncbitaxon:199392) leaf (BTO:0000713) DOI (10.1016/S0031-9422(98)00534-2)
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)
BF 4 (CHEBI:65488) has role antineoplastic agent (CHEBI:35610)
BF 4 (CHEBI:65488) has role metabolite (CHEBI:25212)
BF 4 (CHEBI:65488) is a ether (CHEBI:25698)
BF 4 (CHEBI:65488) is a extended flavonoid (CHEBI:71037)
BF 4 (CHEBI:65488) is a organic heterotetracyclic compound (CHEBI:38163)
BF 4 (CHEBI:65488) is a phenols (CHEBI:33853)
IUPAC Name 
(2S,12S)-5-hydroxy-9-methoxy-6,8,10,10-tetramethyl-2-phenyl-12-(propan-2-yl)-2,3,10,12-tetrahydro-4H,11H-pyrano[2,3-a]xanthene-4,11-dione
Synonym  Source
Baeckea frutescens 4ChEBI
Registry NumbersSources
Reaxys:8296111Reaxys