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CHEBI:66793 - 1,6,7-trihydroxy-6',6'-dimethyl-2H-pyrano(2',3':3,2)-4-(3-methylbut-2-enyl)xanthone

ChEBI IDCHEBI:66793
ChEBI Name1,6,7-trihydroxy-6',6'-dimethyl-2H-pyrano(2',3':3,2)-4-(3-methylbut-2-enyl)xanthone
Stars
ASCII Name1,6,7-trihydroxy-6',6'-dimethyl-2H-pyrano(2',3':3,2)-4-(3-methylbut-2-enyl)xanthone
DefinitionA member of the class of pyranoxanthones that is 2H,6H-pyrano[3,2-b]xanthen-6-one substituted by hydroxy groups at positions 5, 8 and 9, geminal methyl groups at position 2 and a prenyl group at position 12. Isolated from Garcinia lancilimba, it exhibits inhibitory effects on human cancer cell line.
Last Modified25 September 2013
DownloadsMolfile
FormulaC23H22O6
Net Charge0
Average Mass394.423
Monoisotopic Mass394.14164
SMILESCC(C)=CCc1c2c(c(O)c3c(=O)c4cc(O)c(O)cc4oc13)C=CC(C)(C)O2
InChIInChI=1S/C23H22O6/c1-11(2)5-6-13-21-12(7-8-23(3,4)29-21)19(26)18-20(27)14-9-15(24)16(25)10-17(14)28-22(13)18/h5,7-10,24-26H,6H2,1-4H3
InChIKeyPIGUNUPUFZDCAM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Garcinia lancilimba (IPNI:897794-1) bark (BTO:0001301) PubMed (17541202)
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)
1,6,7-trihydroxy-6',6'-dimethyl-2H-pyrano(2',3':3,2)-4-(3-methylbut-2-enyl)xanthone (CHEBI:66793) has role antineoplastic agent (CHEBI:35610)
1,6,7-trihydroxy-6',6'-dimethyl-2H-pyrano(2',3':3,2)-4-(3-methylbut-2-enyl)xanthone (CHEBI:66793) has role metabolite (CHEBI:25212)
1,6,7-trihydroxy-6',6'-dimethyl-2H-pyrano(2',3':3,2)-4-(3-methylbut-2-enyl)xanthone (CHEBI:66793) is a polyphenol (CHEBI:26195)
1,6,7-trihydroxy-6',6'-dimethyl-2H-pyrano(2',3':3,2)-4-(3-methylbut-2-enyl)xanthone (CHEBI:66793) is a pyranoxanthones (CHEBI:71238)
IUPAC Name 
5,8,9-trihydroxy-2,2-dimethyl-12-(3-methylbut-2-en-1-yl)-2H,6H-pyrano[3,2-b]xanthen-6-one
Registry NumbersSources
Reaxys:11192821Reaxys
Citations