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CHEBI:65490 - BF 6

ChEBI IDCHEBI:65490
ChEBI NameBF 6
Stars
DefinitionAn organic heterotetracyclic compound that is 8,12-dihydro-2H,9H-pyrano[2,3-a]xanthene-4,9,11(3H,10H)-trione substituted by methyl groups at positions 6, 8, 8, 10 and 10 and phenyl groups at positions 2 and 12 respectively (the S-enantiomer). It is isolated from the leaves of Baeckea frutescens and exhibits cytotoxicity against leukemia cells.
Last Modified20 November 2012
DownloadsMolfile
FormulaC33H30O6
Net Charge0
Average Mass522.597
Monoisotopic Mass522.20424
SMILESCc1c(O)c2c(c3c1OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)C3c1ccccc1)O[C@H](c1ccccc1)CC2=O
InChIInChI=1S/C33H30O6/c1-17-26(35)23-20(34)16-21(18-12-8-6-9-13-18)38-28(23)24-22(19-14-10-7-11-15-19)25-29(36)32(2,3)31(37)33(4,5)30(25)39-27(17)24/h6-15,21-22,35H,16H2,1-5H3/t21-,22?/m0/s1
InChIKeyXFYRJHANHCHCTK-HMTLIYDFSA-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 6 (CHEBI:65490) has role antineoplastic agent (CHEBI:35610)
BF 6 (CHEBI:65490) has role metabolite (CHEBI:25212)
BF 6 (CHEBI:65490) is a extended flavonoid (CHEBI:71037)
BF 6 (CHEBI:65490) is a organic heterotetracyclic compound (CHEBI:38163)
BF 6 (CHEBI:65490) is a phenols (CHEBI:33853)
IUPAC Name 
(2S)-5-hydroxy-6,8,8,10,10-pentamethyl-2,12-diphenyl-8,12-dihydro-2H,9H-pyrano[2,3-a]xanthene-4,9,11(3H,10H)-trione
Synonym  Source
Baeckea frutescens 6ChEBI